p-Toluenethiol supplier | CasNO.106-45-6

Name
p-Toluenethiol
EINECS 203-399-1
CAS No. 106-45-6
Article Data211
CAS DataBase
Density 1.049 g/cm³
Solubility slightly soluble
Melting Point 84-86 °C
Formula C₇H₈S
Boiling Point 195 °C at 760 mmHg
Molecular Weight 124.207
Flash Point 69.5 °C
Transport Information
Appearance White or colorless solid melt
Safety Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic fumes of SO_x.
Risk Codes R20/21/22;R36/37/38
Molecular Structure
Hazard Symbols XnXi
Synonyms p-Toluenethiol(7CI,8CI);1-Mercapto-4-methylbenzene;4-Mercaptotoluene;4-Methyl-1-thiophenol;4-Methylbenzenethiol;4-Methylphenyl mercaptan;4-Methylphenylthiol;4-Methylthiophenol;4-Thiocresol;4-Toluenethiol;NSC2227;NSC 229565;p-Mercaptotoluene;p-Methylbenzenethiol;p-Methylbenzenthiol;p-Methylphenyl mercaptan;p-Methylphenylthiol;p-Methylthiophenol;p-Thiocresol;p-Tolyl mercaptan;p-Tolylthiol;Benzenethiol, 4-methyl-;
PSA 38.80000
LogP 2.28370

Synthetic route

: 624-31-7
4-tolyl iodide

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere;	99%
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	97%
With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Sealed tube;	97%

: 98-59-9
p-toluenesulfonyl chloride

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With potassium sulfide; acetic acid; triphenylphosphine; zinc In chloroform; water at 60℃; for 0.5h; Solvent; Reagent/catalyst;	97.5%
With ISOPROPYLAMIDE; dimethylsilicon dichloride; zinc In 1,2-dichloro-ethane at 75℃; for 1.5h;	96%
With formic acid; 6% Pd/C; triphenylphosphine at 60℃; for 8h;	92%

: 103-19-5
di(p-tolyl) disulfide

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With indium; ammonium chloride In ethanol for 1h; Reduction; Heating;	96%
With sodium tetrahydroborate; zirconium(IV) chloride In tetrahydrofuran at 35℃; for 0.25h; Reduction;	95%
With ammonia; aluminium; sodium chloride at 25℃; for 1h;	94%

: 4450-76-4
1-pentyl tosylate

A: 628-17-1
amyl iodide

B: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With iodine; triphenylphosphine In benzene for 0.166667h; Heating;	A 90% B 95%

: 128916-30-3
(4-methylpyridyl)(4-methylphenyl)sulfide

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With magnesium In methanol at 20℃; for 4h;	92%

: 623-13-2
4-methylphenyl methylsulfide

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine In xylene for 6h; Heating;	90%
With sodium methylselenide In N,N-dimethyl-formamide for 8h; Heating;	55%

: 103-19-5
di(p-tolyl) disulfide

: 104-15-4
toluene-4-sulfonic acid

: 603-35-0
triphenylphosphine

A: 106-45-6
para-thiocresol

B: 791-28-6
Triphenylphosphine oxide

Conditions

Conditions	Yield
In benzene for 23.5h; Product distribution; Mechanism; Heating; further reaction partners - various diaryl disulfides, diphenyl diselenide, tetrabutylammonium iodide, tributylphosphine;	A 90% B 90%

...Expand

: 824-79-3
sodium 4-methylbenzenesulfinate

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With iodine; triphenylphosphine In 1,4-dioxane; benzene for 2h; Heating;	88%
With hydrogenchloride; tin In water for 24h; Heating;	81%
Multi-step reaction with 2 steps 1: iodine; triphenylphosphine / ethanol / 2 h / Reflux; Green chemistry 2: indole; iodine; triphenylphosphine / ethanol / 2 h / Reflux; Green chemistry View Scheme
Multi-step reaction with 2 steps 1: sulfur dioxide / water / 9.5 h / 110 °C / Inert atmosphere 2: sodium tetrahydroborate; sodium hydroxide / water; tetrahydrofuran / 3 h / 65 - 67 °C / Inert atmosphere View Scheme

: 104-15-4
toluene-4-sulfonic acid

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With 6% Pd/C; iodine; triphenylphosphine; isopropyl alcohol for 6h; Reflux;	88%
With triphenylphosphine; iodine In benzene for 2.5h; Heating;	89 % Chromat.
With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 24 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction;

: 3,5-diphenyl-5-(p-tolylthio)oxazolidine-2,4-dione

A: 4732-66-5
2-oxo-N,2-diphenylacetamide

B: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With potassium hydroxide In 1,4-dioxane Schlenk technique; Inert atmosphere;	A 83% B 75%

: 106-43-4
para-chlorotoluene

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
Stage #1: para-chlorotoluene With water; palladium diacetate; caesium carbonate; sodium thiosulfate; XPhos In toluene; tert-butyl alcohol at 80℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride; zinc In water for 1h; Cooling with ice;	82%
With sodium hydroxide; 1-thiopropane 1) N-methyl-2-pyrrolidone, removal of water by toluene reflux, 2) reflux (ca. 186 deg C), 20 h; other reagent: n-butyl mercaptan; Yield given. Multistep reaction;
With pumice stone; hydrogen sulfide; thorium dioxide at 700℃;
With hydrogen sulfide at 700℃;

: 106-38-7
para-bromotoluene

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
Stage #1: para-bromotoluene With water; caesium carbonate; sodium thiosulfate; bis(dibenzylideneacetone)-palladium(0); XPhos In toluene; tert-butyl alcohol at 80℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride; zinc In water for 1h; Cooling with ice;	81%
With sodium thiomethoxide In N,N-dimethyl acetamide at 150℃;
With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Green chemistry;	14 %Chromat.

: 5720-05-8
4-methylphenylboronic acid

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
Stage #1: 4-methylphenylboronic acid With copper (II)-fluoride; sulfur In dimethyl sulfoxide at 100℃; for 12h; Chan-Lam Coupling; Inert atmosphere; Stage #2: With sodium tetrahydroborate In dimethyl sulfoxide at 40℃; for 5h; Inert atmosphere;	79%

: 6192-52-5
p-toluenesulfonic acid monohydrate

: 407-25-0
trifluoroacetic anhydride

A: 75072-07-0
S-(trifluoroacetyl)-p-methylthiophenol

B: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In dichloromethane for 20h; Product distribution; Ambient temperature;	A 78% B 11%
With sodium hydroxide; tetra-(n-butyl)ammonium iodide 1.) CH2Cl2, 20h, room temp.; 2.) MeOH, 30 min, room temp.; Yield given. Multistep reaction. Further byproducts given;
With sodium hydroxide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; tetra-(n-butyl)ammonium iodide 1.) CH2Cl2, 20h, room temp.; 2.) 0 deg C; Yield given. Multistep reaction. Further byproducts given;

...Expand

: 122948-71-4
1-<α-(p-tolylsulfonyl)ethyl>-4-methoxybenzene

: 75-16-1
methylmagnesium bromide

A: 613-33-2
(4,4'-dimethyl-1,1'-biphenyl)

B: 644-08-6
4-Methylbiphenyl

C: 623-13-2
4-methylphenyl methylsulfide

D: 1712-69-2
1-isopropenyl-4-methoxybenzene

E: 4132-48-3
1-methoxy-4-(1-methylethyl)benzene

F: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With bis(triphenylphosphine)nickel(II) diiodide; tricyclohexylphosphine; phenylboronic acid In tetrahydrofuran at 70℃; Kumada Cross-Coupling; Inert atmosphere;	A 11% B 31% C 12% D 78% E 10% F 7%

...Expand

: 70-55-3
toluene-4-sulfonamide

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With ammonium formate at 100 - 200℃; for 7h; neat (no solvent);	77%
With phosphorus; phosphoric acid; potassium iodide
With phosphonium iodide; hydrogen iodide at 75 - 100℃;
With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 60 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction;

: 33046-45-6
1-phenyl-2-(p-tolylthio)ethanone

A: 103-19-5
di(p-tolyl) disulfide

B: 106-45-6
para-thiocresol

C: 98-86-2
acetophenone

Conditions

Conditions	Yield
With electrolysis on Pt electrode In acetonitrile Product distribution; other electrode (Hg), other solvent (aq. ethanol), influence of phenol;	A n/a B n/a C 72%

...Expand

: 3147-28-2
3-[(4-methylphenyl)sulfanyl]-1-propanol

A: 103-19-5
di(p-tolyl) disulfide

B: 24599-52-8
4-methylphenyl propyl sulfide

C: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
PPA In carbon disulfide for 40h; Ambient temperature;	A 72% B 21% C 4%

...Expand

: 657-84-1
sodium tosylate

A: 103-19-5
di(p-tolyl) disulfide

B: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With sulfuric acid; triphenylphosphine In water at 20℃; for 10h;	A 30% B 68%

: 98-59-9
p-toluenesulfonyl chloride

A: 103-19-5
di(p-tolyl) disulfide

B: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran for 4h; Heating;	A 60.2% B 27%
With sodium tetrahydroborate In tetrahydrofuran for 2h; Heating;	A 30.9% B 27%
With sodium tetrahydroborate In tetrahydrofuran Product distribution; Heating; effect of reaction time;
With water; triphenylphosphine In tetrahydrofuran at 20℃;

: 3147-30-6
γ-chloropropyl 4-methylphenyl sulphide

A: 71153-74-7
6-Methyl-3,4-dihydro-2H-1-benzothiopyran

B: 24599-52-8
4-methylphenyl propyl sulfide

C: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
aluminium trichloride In carbon disulfide for 3h; Heating;	A 60% B 15% C 9%

...Expand

: 64732-71-4
p-Tolyl-thionitrit

: 917-54-4
methyllithium

A: 623-13-2
4-methylphenyl methylsulfide

B: 103-19-5
di(p-tolyl) disulfide

C: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
In diethyl ether at -70℃; for 0.05h;	A 57% B n/a C n/a

...Expand

: 64732-71-4
p-Tolyl-thionitrit

: phenylmagnesium bromide

A: 103-19-5
di(p-tolyl) disulfide

B: 3699-01-2
4-tolyl phenyl sulfide

C: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
In diethyl ether at -70℃; for 0.05h;	A n/a B 57% C n/a

...Expand

: 13290-16-9
2-(p-tolylthio)-ethanol

A: 103-19-5
di(p-tolyl) disulfide

B: 32327-68-7
p-methyl-2-phenylethyl chloride

C: 3238-95-7
1,2-bis(p-tolylthio)ethane

D: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
aluminium trichloride; nitromethane In carbon disulfide for 40h; Ambient temperature;	A 2.1% B 54% C 43% D 0.3%

...Expand

: 29627-34-7
4-(phenyldisulfanyl)toluene

: 882-33-7
diphenyldisulfane

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With triphenylphosphine In 1,4-dioxane; water	53%

: 657-84-1
sodium tosylate

: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With 18-crown-6 ether; iodine; triphenylphosphine In benzene for 5h; Heating;	50%
With triphenylphosphine; 18-crown-6 ether; iodine In benzene for 30.5h; Heating;	85 % Chromat.
With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 24 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction;

: 103603-53-8
N-(4-methylphenylthiomethyl)benzamide

A: 100-47-0
benzonitrile

B: 124778-69-4
2-phenyl-6-methyl-4H-1,3-benzothiazine

C: 106-45-6
para-thiocresol

D: 2,8-dimethyl-6H,12H-dibenzo<1,5>dithiocin

Conditions

Conditions	Yield
With trichlorophosphate for 1h; Heating;	A 49% B 9.8% C 16% D 11%

...Expand

: 29627-34-7
4-(phenyldisulfanyl)toluene

: 882-33-7
diphenyldisulfane

A: 3541-14-8
phenyl toluene-4-thiosulfonate

B: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With PPE	A 4% B 46%

...Expand

: 3147-28-2
3-[(4-methylphenyl)sulfanyl]-1-propanol

A: 622-63-9
ethyl p-tolyl sulfide

B: 103-19-5
di(p-tolyl) disulfide

C: 106-45-6
para-thiocresol

D: 4-Methyl-2-propyl-1-p-tolyldisulfanyl-benzene

Conditions

Conditions	Yield
sulfuric acid In carbon disulfide for 40h; Ambient temperature;	A 4% B 45% C 3% D 42%
sulfuric acid In carbon disulfide for 40h; Product distribution; Ambient temperature; further catalysts;	A 4% B 45% C 3% D 42%
sulfuric acid In carbon disulfide for 40h; Ambient temperature;	A 4% B 45% C 3% D 42%

...Expand

: 657-84-1
sodium tosylate

: 407-25-0
trifluoroacetic anhydride

A: 75072-07-0
S-(trifluoroacetyl)-p-methylthiophenol

B: 106-45-6
para-thiocresol

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In dichloromethane for 19h; Product distribution; Ambient temperature;	A 44% B 26%
With sodium hydroxide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; tetra-(n-butyl)ammonium iodide 1.) CH2Cl2, 22h, room temp.; 2.) 0 deg C; Yield given. Multistep reaction. Further byproducts given;

...Expand

: 106-95-6
allyl bromide

: 106-45-6
para-thiocresol

: 1516-28-5
allyl (p-tolyl)sulfide

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃;	100%
Stage #1: para-thiocresol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.333333h; Stage #2: allyl bromide In tetrahydrofuran; mineral oil for 0.4h;	95%
With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 4.33333h;	95%

: 106-45-6
para-thiocresol

: 103-19-5
di(p-tolyl) disulfide

Conditions

Conditions	Yield
With bis dichromate In dichloromethane at 0 - 5℃; for 1h;	100%
With bromine; potassium hydrogencarbonate In dichloromethane	100%
With N-phenyltriazolinedione In toluene at 20℃; for 0.166667h;	100%

: 109-70-6
1,3-chlorobromopropane

: 106-45-6
para-thiocresol

: 3147-30-6
γ-chloropropyl 4-methylphenyl sulphide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃;	100%
With sodium hydroxide In ethanol at 100℃;	65%
With potassium hydroxide

: 78-94-4
methyl vinyl ketone

: 106-45-6
para-thiocresol

: 6110-02-7
4-(p-tolylthio)butan-2-one

Conditions

Conditions	Yield
With zirconium In acetonitrile Michael Addition; Electrolysis; diastereoselective reaction;	100%
With triethylammonium acetate at 25℃; for 0.0166667h; Thia-Michael reaction; chemoselective reaction;	99%
Mg-La mixed oxides In N,N-dimethyl-formamide at 24.85℃; for 0.45h; Michael addition;	97%

: 88766-29-4
(methoxycarbonyl)disulfanyl chloride

: 106-45-6
para-thiocresol

: 94839-62-0
Methoxycarbonyl 4-methylphenyl trisulfane

Conditions

Conditions	Yield
In dichloromethane at -78℃; for 1h;	100%

: 16192-07-7
4-tosylacetonitrile

: 106-45-6
para-thiocresol

: 97479-48-6
3-p-tolylsulphonyl-2-p-tolylthiopropene

Conditions

Conditions	Yield
With triethylamine In methanol for 1.75h; Ambient temperature;	100%
With triethylamine In benzene for 2h; Ambient temperature;	65%
With triethylamine In benzene for 18h; Ambient temperature;	55%
With triethylamine In benzene

: 33840-84-5
p-toluene(N-phenylsulfonyl)iminosulfinyl chloride

: 106-45-6
para-thiocresol

A: 98-10-2
benzenesulfonamide

B: 103-19-5
di(p-tolyl) disulfide

Conditions

Conditions	Yield
In benzene at 20℃; for 2.5h; Mechanism;	A 100% B 95%

...Expand

: 129221-76-7
2,3-dicyanobenzaldehyde

: 106-45-6
para-thiocresol

: 129221-84-7
3-Oxo-1-p-tolylsulfanyl-2,3-dihydro-1H-isoindole-4-carbonitrile

Conditions

Conditions	Yield
With triethylamine In chloroform at 20℃; for 4h;	100%

: 127022-75-7
(methoxy)diphenyl-λ6-sulfanenitrile

: 106-45-6
para-thiocresol

A: 623-13-2
4-methylphenyl methylsulfide

B: 22731-83-5
S,S-diphenylsulphoximine

Conditions

Conditions	Yield
In benzene at 30℃; for 6h; Rate constant; Product distribution;	A 77% B 100%
In benzene at 30℃; for 6h; Yields of byproduct given;	A 77% B n/a

...Expand

: 34162-79-3
vinylidene-1,1-diphosphonic acid

: 106-45-6
para-thiocresol

: 87774-69-4
(1-Phosphono-2-p-tolylsulfanyl-ethyl)-phosphonic acid

Conditions

Conditions	Yield
With acetic acid; triethylamine at 110℃; for 15h;	100%

: 70925-53-0
p-toluene(N-benzoyl)iminosulfinyl chloride

: 106-45-6
para-thiocresol

A: 103-19-5
di(p-tolyl) disulfide

B: 15934-46-0
benzamidene hydrochloride

Conditions

Conditions	Yield
In benzene at 20℃; for 2.5h; Mechanism;	A 90% B 100%

...Expand

: 106-45-6
para-thiocresol

: 3874-54-2
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

: 132427-90-8
1-(4-fluorophenyl)-4-(p-tolylthio)butan-1-one

Conditions

Conditions	Yield
	100%
With triethylamine In tetrahydrofuran for 16h; Ambient temperature;	99%

: 106-45-6
para-thiocresol

: 104-15-4
toluene-4-sulfonic acid

Conditions

Conditions	Yield
With dinitrogen tetraoxide In tetrachloromethane; diethyl ether for 2.5h; Ambient temperature;	100%
With dihydrogen peroxide; trichlorophosphate In water at 80℃; for 1.16667h; Micellar solution;	95%
With HOF* CH3CN In dichloromethane at 0℃;	90%
With dihydrogen peroxide; methyltrioxorhenium(VII) In acetonitrile at 20℃;	87%
Multi-step reaction with 2 steps 1: pyridine / acetonitrile / Heating 2: hydrogenchloride; water / 40 °C View Scheme

: 637-59-2
1-Bromo-3-phenylpropane

: 106-45-6
para-thiocresol

: 38644-97-2
(3-phenylpropyl)(p-tolyl)sulfane

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 12h;	100%
With potassium hydroxide
With potassium carbonate In acetone at 45℃;

: 83-87-4, 604-68-2, 604-69-3, 2152-77-4, 4026-35-1, 4163-59-1, 4163-60-4, 4163-61-5, 4163-65-9, 4257-94-7, 4257-96-9, 16299-15-3, 19186-39-1, 19189-55-0, 25878-60-8, 25941-03-1, 32445-48-0, 32445-49-1, 32445-53-7, 32445-54-8, 34685-58-0, 34685-59-1, 43168-42-9, 43168-44-1, 43169-22-8, 43169-25-1, 66966-07-2, 70749-17-6, 80184-01-6, 93221-01-3, 93221-02-4, 99630-88-3, 109215-53-4, 115792-70-6, 115792-73-9, 139894-92-1, 139973-25-4, 144071-49-8, 147648-81-5
D-Mannose pentaacetate

: 106-45-6
para-thiocresol

: 211801-79-5
4-methylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannopyranoside

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 0 - 20℃;	100%
With trifluorormethanesulfonic acid In dichloromethane at 0℃; for 2.5h; Molecular sieve; Inert atmosphere; stereoselective reaction;	88%
With boron trifluoride diethyl etherate In dichloromethane	87%

: 4214-28-2
1-iodo-2,4-dimethylbenzene

: 106-45-6
para-thiocresol

: 16704-46-4
(2,4‑dimethylphenyl)(4‑methylphenyl) sulfide

Conditions

Conditions	Yield
With 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene); copper(I) bromide In toluene Substitution; Heating;	100%
Stage #1: para-thiocresol With potassium hydroxide In methanol at 70℃; for 0.25h; Inert atmosphere; Schlenk technique; Green chemistry; Stage #2: 1-iodo-2,4-dimethylbenzene With copper(l) iodide In methanol at 110℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;

: 22445-41-6
3,5-dimethylphenyl iodide

: 106-45-6
para-thiocresol

: (3,5‑dimethylphenyl)(4‑methylphenyl) sulfide

Conditions

Conditions	Yield
Stage #1: para-thiocresol With potassium hydroxide In methanol at 70℃; for 0.25h; Inert atmosphere; Schlenk technique; Green chemistry; Stage #2: 3,5-dimethylphenyl iodide With copper(l) iodide In methanol at 110℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;	100%
With 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene); copper(I) bromide In toluene Substitution; Heating;	92%
With copper(l) iodide; 1,10-Phenanthroline In 1-methyl-pyrrolidin-2-one; methanol at 25℃; for 36h; Inert atmosphere;	50%
With C15H16N3Ni(1+)*BF4(1-); sodium t-butanolate In acetonitrile at 100℃; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique;	0.20 g

: 141-52-6
sodium ethanolate

: 106-93-4
ethylene dibromide

: 106-45-6
para-thiocresol

: 57023-03-7
(2-ethoxyethyl)-para-thiocresol

Conditions

Conditions	Yield
Stage #1: para-thiocresol With sodium ethanolate In ethanol at 20℃; Metallation; Stage #2: ethylene dibromide In ethanol at 20℃; Alkylation; Stage #3: sodium ethanolate In ethanol Substitution; Heating;	100%

...Expand

: 106-45-6
para-thiocresol

: 107-07-3
2-chloro-ethanol

: 20761-71-1
(2-chloro-ethyl)-p-tolyl sulfide

Conditions

Conditions	Yield
Stage #1: para-thiocresol With sodium ethanolate In ethanol at 20℃; for 0.5h; Metallation; Stage #2: 2-chloro-ethanol In ethanol for 3.5h; Alkylation; Heating; Stage #3: With hydrogenchloride In ethanol; water Chlorination; 15 h, r.t., 4.5 h, reflux;	100%

: 23545-41-7
N-(2-bromo-ethyl)-ethylenediamine; dihydrobromide

: 106-45-6
para-thiocresol

: 115335-17-6
S-2-(2-aminoethylamino)ethyl 4-tolyl sulfide

Conditions

Conditions	Yield
With triethylamine In chloroform at 0 - 5℃; for 3h;	100%

: 23545-43-9
N-(2-bromo-ethyl)-butanediyldiamine; dihydrobromide

: 106-45-6
para-thiocresol

: S-2-(4-aminobutylamino)ethyl 4-tolyl sulfide

Conditions

Conditions	Yield
With triethylamine In chloroform at 0 - 5℃; for 3h;	100%

: 23545-42-8
dibromohydrate du N-(bromoethyl-2)diamino-1,3 propane

: 106-45-6
para-thiocresol

: S-2-(3-aminopropylamino)ethyl 4-tolyl sulfide

Conditions

Conditions	Yield
With triethylamine In chloroform at 0 - 5℃; for 3h;	100%

: 60940-34-3
2-phenyl-1,2-benzoisoselenazol-3(2H)-one

: 106-45-6
para-thiocresol

: C20H17NOSSe

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1h;	100%

: 619-58-9
4-iodobenzoic acid

: 106-45-6
para-thiocresol

: 4-[(4-methylphenyl)thio]benzamide

Conditions

Yield

Stage #1: 4-iodobenzoic acid With SPPSLRAM SynPhase Lanterns(R); N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane; N,N-dimethyl-formamide at 45℃; for 15h;
Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h;
Stage #3: With trifluoroacetic acid In dichloromethane

100%

: 619-58-9
4-iodobenzoic acid

: 106-45-6
para-thiocresol

: 22494-64-0
4-[(4-methylphenyl)thio]benzoic acid

Conditions

Conditions	Yield
Stage #1: 4-iodobenzoic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h; Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h; Stage #3: With trifluoroacetic acid In dichloromethane	100%

: 82998-57-0
3-iodo-4-toluic acid

: 106-45-6
para-thiocresol

: 4-methyl-3-[(4-methylphenyl)thio]benzoic acid

Conditions

Conditions	Yield
Stage #1: 3-iodo-4-toluic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h; Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h; Stage #3: With trifluoroacetic acid In dichloromethane	100%

: 52107-87-6
4-iodo-3-methylbenzoic acid

: 106-45-6
para-thiocresol

: 3-methyl-4-[(4-methylphenyl)thio]benzoic acid

Conditions

Conditions	Yield
Stage #1: 4-iodo-3-methylbenzoic acid With dmap; SPPSLHMP SynPhase Lanterns(R); dacarbazine In dichloromethane; N,N-dimethyl-formamide at 50℃; for 15h; Stage #2: para-thiocresol With borohydride polymer supported Amberlite(R) IRA400; bis(bipyridine)nickel(II) bromide In tetrahydrofuran; ethanol at 70℃; for 15h; Stage #3: With trifluoroacetic acid In dichloromethane	100%

: 623-43-8
crotonic acid methyl ester

: 106-45-6
para-thiocresol

: 4-(4-mercapto-phenyl)-3-methyl-butyric acid methyl ester

Conditions

Conditions	Yield
With magnesium oxide In toluene at 20℃; for 0.5h; Michael addition;	100%

: 292638-85-8
acrylic acid methyl ester

: 106-45-6
para-thiocresol

: 3-(4-methylphenylsulfanyl)propionic acid methyl ester

Conditions

Conditions	Yield
With sodium acetate In tetrahydrofuran; water at 25℃; for 18h;	100%
With phosphotungstic acid In water at 20℃; for 2.5h; Michael addition;	98%
In water at 30 - 35℃; for 0.25h; thia-Michael addition;	95%

: 944719-58-8
2-(4-bromophenyl)benzo[d][1,2]selenazol-3(2H)-one

: 106-45-6
para-thiocresol

: C20H16NOSSeBr

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1h;	100%

p-Toluenethiol Chemical Properties

IUPAC Name: 4-Methylbenzenethiol
Canonical SMILES: CC1=CC=C(C=C1)S
InChI: InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey: WLHCBQAPPJAULW-UHFFFAOYSA-N
Molecular Weight: 124.20342 [g/mol]
Molecular Formula: C₇H₈S
XLogP3: 2.9
EINECS: 203-399-1
Appearance: White or colorless solid melt
Melting Point: 84-86 °C
Index of Refraction: 1.577
Molar Refractivity: 39.25 cm³
Molar Volume: 118.3 cm³
Surface Tension: 37.8 dyne/cm
Density: 1.049 g/cm³
Flash Point: 69.5 °C
Enthalpy of Vaporization: 41.36 kJ/mol
Boiling Point: 195 °C at 760 mmHg
Vapour Pressure: 0.601 mmHg at 25 °C
storage temp.: Store at RT.
Water Solubility: slightly soluble
Sensitive: Stench
Product Categories of p-Toluenethiol (CAS NO.106-45-6): Intermediates; Phenol & Thiophenol & Mercaptan

p-Toluenethiol Uses

p-Toluenethiol (CAS NO.106-45-6) is used in organic synthesis, and the synthesis of dyes, medicine, etc.

p-Toluenethiol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,

p-Toluenethiol Consensus Reports

Reported in EPA TSCA Inventory.

p-Toluenethiol Safety Profile

Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic fumes of SO_x.
Hazard Codes: Irritant Xi, Harmful Xn
Risk Statements:
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements:
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR: 2811
WGK Germany: 3
RTECS: XT8925000
F: 13
Hazard Note: Harmful/Stench
HazardClass: 6.1
PackingGroup of p-Toluenethiol (CAS NO.106-45-6): III

p-Toluenethiol Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid, Poison (UN 1228); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3071)

p-Toluenethiol Specification

p-Toluenethiol (CAS NO.106-45-6), its Synonyms are 4-Methylbenzenethiol ; 4-Methylphenyl mercaptan ; 4-Methylphenylmercaptan ; 4-Methylthiophenol ; 4-Thiocresol ; 4-Toluenethiol ; 1-Mercapto-4-methylbenzene ; Toluene, 4-mercapto- ; Benzenethiol, 4-methyl- ; p-Methylphenyl mercaptan ; p-Methylphenylmercaptan ; p-Methylthiophenol ; p-Thiocresol ; p-Tolyl mercaptan ; p-Tolylthiol ; p-Tolylthiophenol .

Product Name

p-Toluenethiol

Synthetic route

p-Toluenethiol Chemical Properties

p-Toluenethiol Uses

p-Toluenethiol Toxicity Data With Reference

p-Toluenethiol Consensus Reports

p-Toluenethiol Safety Profile

p-Toluenethiol Standards and Recommendations

p-Toluenethiol Specification

Related Products

Hot Products