Benzenesulfenyl chloride supplier

Name
Phenylsulfenylchloride
EINECS 632-987-4
CAS No. 931-59-9
Article Data161
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point 44 °C
Formula C₆H₅ClS
Boiling Point 261.7 °C at 760 mmHg
Molecular Weight 144.625
Flash Point 110.3 °C
Transport Information
Appearance wine hygroscopic oily liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenylchloro sulfide;Phenylthio chloride;Phenylsulfenylchloride;
PSA 25.30000
LogP 2.93250

Synthetic route

: 882-33-7
diphenyldisulfane

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With chlorine In dichloromethane at 0℃; for 0.333333h;	100%
With (Dichloroiodo)benzene In dichloromethane at 20℃; for 0.333333h;	95%
With chlorine In tetrachloromethane at -78℃;	93%

: 108-98-5
thiophenol

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With tetrachloromethane at 0℃;	96%
With thionyl chloride In dichloromethane at 0℃; for 1h;	95%
With N-chloro-succinimide In dichloromethane at 0℃; for 0.25h; Inert atmosphere; Schlenk technique;	95%

: 4837-33-6
o-nitrobenzenesulfenanilide

: 874-60-2
4-methyl-benzoyl chloride

A: 6833-18-7
4-methyl-N-phenylbenzamide

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With Allyl ether; triphenylphosphine In 1,4-dioxane at 18 - 20℃; for 5h;	A 95.5% B n/a

...Expand

: 75-36-5
acetyl chloride

: menthyl sulfenate

A: 931-59-9
benzenesulfenyl chloride

B: 89-48-5, 2230-87-7, 2552-91-2, 2623-23-6, 5157-89-1, 16409-45-3, 20777-36-0, 20777-45-1, 29066-34-0, 42241-42-9, 50539-17-8, 55058-46-3, 79199-84-1, 146502-80-9
2-isopropyl-5-methylcyclohexyl acetate

Conditions

Conditions	Yield
at 0℃;	A n/a B 95%

...Expand

: 14933-91-6
N-phenyl-benzenesulphenamide

: 98-88-4
benzoyl chloride

A: 93-98-1
N-phenyl benzoyl amide

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With Allyl ether; triethylphosphine In 1,4-dioxane at 18 - 20℃; for 5h;	A 93% B n/a

...Expand

: 934-87-2
S-phenyl thioacetate

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride In tetrachloromethane for 0.5h; Ambient temperature;	81%

: 76794-16-6
3-chloro-2-phenyl-1H-indole

: 882-33-7
diphenyldisulfane

A: 106345-32-8
2‐phenyl‐3‐(phenylthio)‐1H‐indole

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
In benzene for 4h; Ambient temperature; Irradiation;	A 79% B n/a

...Expand

: 1-phenoxy-1-phenylthioethane

A: 10477-40-4
1-chloroethyl phenyl ether

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride In dichloromethane for 0.166667h;	A 70% B n/a

: 128-09-6
N-chloro-succinimide

: 882-33-7
diphenyldisulfane

A: 14204-24-1
N-(phenylthio)succinimide

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In dichloromethane at 20℃; for 2h; Reagent/catalyst; Solvent;	A 38% B n/a

...Expand

: 128-09-6
N-chloro-succinimide

: 108-98-5
thiophenol

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With benzene

: 6667-19-2
benzenenesulfenyl dimethylamine

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether

: 75-09-2
dichloromethane

: 661-38-1
trichloro-methyl-λ4-sulfane

: 882-33-7
diphenyldisulfane

A: 5813-48-9
Methanesulfenyl chloride

B: 931-59-9
benzenesulfenyl chloride

...Expand

: 32637-30-2
N-(phenylthiomethyl)phthalimide

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride In tetrachloromethane Ambient temperature; Yield given;

: 934-87-2
S-phenyl thioacetate

A: 75-36-5
acetyl chloride

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride In neat (no solvent) at 0℃; Yield given;

: 82665-92-7
3-chloro-1-methyl-2-phenyl-1H-indole

: 882-33-7
diphenyldisulfane

A: 82946-84-7
1-methyl-2-phenyl-3-(phenylsulfenyl)indole

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
In benzene for 4h; Ambient temperature; Irradiation;	A 96 % Chromat. B n/a

...Expand

: 56-23-5
tetrachloromethane

: 7782-50-5
chlorine

: 108-98-5
thiophenol

: 931-59-9
benzenesulfenyl chloride

...Expand

: 56-23-5
tetrachloromethane

: 7782-50-5
chlorine

: 882-33-7
diphenyldisulfane

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
at 20℃;

...Expand

: 7647-01-0
hydrogenchloride

: 60-29-7
diethyl ether

: 6667-19-2
benzenenesulfenyl dimethylamine

A: 660-68-4
diethyl amine hydrochloride

B: 931-59-9
benzenesulfenyl chloride

...Expand

: 108-95-2
phenol

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With N-chloro-succinimide In dichloromethane at 0℃; for 0.5h;

: 13557-24-9
1-chloroethyl phenyl sulfide

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 47 percent / dimethylformamide / 1.) room temperture, 2 d, 2.) 80 deg C, 2 h 2: sulfuryl chloride / CH2Cl2 / 0.17 h View Scheme

: 1212-08-4
S-Phenyl benzenethiosulfonate

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) phenylsulfenyl bromide; 2.) NH3 / 1.) MeCN, 75 degC, 1+2 h.; 2.) benzene, 2: Cl2 / CCl4 View Scheme

: 5633-55-6
4-phenylsulfanylphenol

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: hydrobromic acid 3: carbon disulfide; chlorine View Scheme

: 5633-57-8
1-methoxy-4-(phenylsulfanyl)benzene

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrobromic acid; acetic acid anhydride / 80 - 90 °C / Erwaermen des Reaktionsprodukts mit Natronlauge 3: hydrobromic acid 4: carbon disulfide; chlorine View Scheme
Multi-step reaction with 2 steps 1: hydrobromic acid 2: carbon disulfide; chlorine View Scheme

: 20057-88-9
diphenyl trisulfide

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: benzene; mercury 2: carbon tetrachloride; chlorine View Scheme

: 53144-50-6
diphenyl tetrasulfide

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 170 - 190 °C / im Hochvakuum 2: carbon tetrachloride; chlorine View Scheme

: 28074-23-9
phenylsulfenyl bromide

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: carbon tetrachloride / beim Eindampfen 2: carbon tetrachloride; chlorine View Scheme

: 3153-52-4
benzenesulfenyl thiocyanate

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether 2: diethyl ether; hydrogen chloride View Scheme

: 78735-19-0
(3-nitrophenyl)vinylsulfone

A: 2-CHLORO-1-(m-NITROPHENYLSULFONYL)ETHYL PHENYL SULFIDE

B: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
In tetrachloromethane; acetic acid

: 139-66-2
diphenyl sulfide

: 931-59-9
benzenesulfenyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride In 1,2-dichloro-ethane at 20℃; for 0.0833333h; Inert atmosphere;

: 513-81-5
2,3-dimethyl-buta-1,3-diene

: 931-59-9
benzenesulfenyl chloride

: 101384-19-4
2-Chloro-2,3-dimethyl-1-phenylthiobut-3-ene

Conditions

Conditions	Yield
In dichloromethane at -78℃;	100%

: 208-96-8
acenaphthylene

: 931-59-9
benzenesulfenyl chloride

: trans-2-phenylthio-1-chloroacenaphthene

Conditions

Conditions	Yield
In acetic acid	100%

: 100-60-7
N-methylcyclohexylamine

: 931-59-9
benzenesulfenyl chloride

: 138710-07-3
N-(benzenesulfenyl)-N-methylcyclohexylamine

Conditions

Conditions	Yield
With triethylamine In diethyl ether for 0.166667h;	100%

: 4747-87-9
isopropenyl isocyanate

: 931-59-9
benzenesulfenyl chloride

: 85212-35-7
1-chloro-2-phenylthio-1-methylethyl isocyanate

Conditions

Conditions	Yield
at -25 - -20℃; for 0.0666667h;	100%

: 76008-87-2
1-pentanesulfinic acid

: 931-59-9
benzenesulfenyl chloride

: 78622-31-8
S-phenyl 1-pentanethiosulfonate

Conditions

Conditions	Yield
With pyridine In tetrachloromethane at 0℃;	100%

: 17094-21-2
2-methyl-acetoacetic acid methyl ester

: 931-59-9
benzenesulfenyl chloride

: 82111-72-6
2-Methyl-3-oxo-2-phenylsulfanyl-butyric acid methyl ester

Conditions

Conditions	Yield
In dichloromethane at 0℃;	100%

: 72-33-3
mestranol

: 931-59-9
benzenesulfenyl chloride

: 106103-91-7, 106103-93-9
(8R,9S,13S,14S)-17-Benzenesulfinylvinylidene-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene

Conditions

Conditions	Yield
With triethylamine In dichloromethane 1.) -78 deg C, 2.) RT;	100%

: 77228-93-4
4-((1R,2S,4S)-2-Methyl-3-methylene-bicyclo[2.2.1]hept-5-en-2-yl)-butyronitrile

: 931-59-9
benzenesulfenyl chloride

: 77243-08-4
4-((1S,3S,4S,5S,6R)-2-Chloromethyl-3-methyl-5-phenylsulfanyl-tricyclo[2.2.1.02,6]hept-3-yl)-butyronitrile

Conditions

Conditions	Yield
In dichloromethane at 0℃;	100%

: 114656-99-4
5-(4-methoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

: 931-59-9
benzenesulfenyl chloride

: 114657-07-7
1,3-dimethyl-5-(4'-methoxybenzyl)-5-phenylthiobarbituric acid

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	100%

: 114656-98-3
1,3-dimethyl-5-(4-nitrobenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione

: 931-59-9
benzenesulfenyl chloride

: 114657-00-0
1,3-dimethyl-5-(4'-nitrobenzyl)-5-phenylthiobarbituric acid

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	100%
In dichloromethane at 25℃; for 12h;	73%

: 4231-35-0
methyl(diethylamino)acetylene

: 931-59-9
benzenesulfenyl chloride

: ((E)-1-Chloro-2-phenylsulfanyl-propenyl)-diethyl-amine

Conditions

Conditions	Yield
In diethyl ether at -10 - 0℃;	100%

: 26437-91-2
N,N-Diethyl<2-(phenylthio)ethinyl>amin

: 931-59-9
benzenesulfenyl chloride

: (1-Chloro-2,2-bis-phenylsulfanyl-vinyl)-diethyl-amine

Conditions

Conditions	Yield
In diethyl ether at -10 - 0℃;	100%

: 4-endo-acetylamino-2-oxabicyclo<3.3.0>oct-7-en-3-one

: 931-59-9
benzenesulfenyl chloride

: 4-endo-acetylamino-7-endo-chloro-8-exo-phenylsulfenyl-2-oxabicyclo<3.3.0>octane-3-one

Conditions

Conditions	Yield
In acetonitrile for 24h; Ambient temperature;	100%

: ethyl 2-acetyl-2-azabicyclo<2.2.1>hept-5-ene-3-carboxylate

: 931-59-9
benzenesulfenyl chloride

: ethyl 2-acetyl-6-exo-chloro-7-anti-phenylsulfenyl-2-azabicyclo<2.2.1>heptane-3-endo-carboxylate

Conditions

Conditions	Yield
In acetonitrile for 24h; Ambient temperature;	100%

: 514-95-4
1,5,5-trimethyl-6-methylene-cyclohexene

: 931-59-9
benzenesulfenyl chloride

: 288302-93-2
3-chloro-2,6,6-trimethyl-1-(phenylthiomethyl)cyclohex-1-ene

Conditions

Conditions	Yield
In dichloromethane at -70 - 20℃; Addition;	100%

: 950-65-2
dimethyl bicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate

: 931-59-9
benzenesulfenyl chloride

: (5S,6S)-5-Chloro-6-phenylsulfanyl-bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid dimethyl ester

Conditions

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

: 75612-58-7
bicyclo<2.2.1>hepta-2,5-dien-2-yl p-tolyl sulfone

: 931-59-9
benzenesulfenyl chloride

: (1R*,4R*,5S*,6S*)-5-Chloro-6-phenylthio-2-tosylbicyclo[2.2.1]hept-2-ene

Conditions

Conditions	Yield
In dichloromethane at -78 - 20℃; for 4h;	100%

: 1,4,7,10-tetrahydro-1,4;7,10-diethanonaphthacene

: 931-59-9
benzenesulfenyl chloride

: 1359762-66-5
C34H30Cl2S2

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 0.5h;	100%

: dioctyl bicyclo[2.2.2]octa-1,3-diene-1,2-dicarboxylate

: 931-59-9
benzenesulfenyl chloride

: dioctyl 3-chloro-4-phenylsulfenyl-bicyclo[2.2.2]oct-1-ene-1,2-dicarboxylate

Conditions

Conditions	Yield
In dichloromethane at -78 - 20℃;	100%

: 1453485-33-0
trimethyl((3-(methylthio)naphthalen-2-yl)ethynyl)silane

: 931-59-9
benzenesulfenyl chloride

: 1453485-34-1
3-(phenylsulfenyl)-2-trimethylsilylnaphtho[2,3-b]thiophene

Conditions

Conditions	Yield
In dichloromethane at 20℃; Inert atmosphere;	100%

: 536-74-3
phenylacetylene

: 931-59-9
benzenesulfenyl chloride

: (E)-(2-chloro-1-phenylvinyl)(phenyl)sulfane

Conditions

Conditions	Yield
In ethyl acetate at 25℃; for 12h; Solvent; Inert atmosphere; Schlenk technique; stereoselective reaction;	100%
In toluene at 110℃; for 12h; Time; Reagent/catalyst; Inert atmosphere; Schlenk technique;

: N5,N5,N6,N6-tetramethylacenaphthylene-5,6-dicarboxamide

: 931-59-9
benzenesulfenyl chloride

: trans-N,N,N',N'-tetramethyl-1-chloro-2-phenylsulfanylacenaphthene-5,6-dicarboxamide

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 3h;	100%

: 14850-23-8
trans-4-Octene

: 931-59-9
benzenesulfenyl chloride

: 129133-50-2
(+/-)-rel-((4RS,5SR)-5-chlorooctan-4-yl)phenylsulfide

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 0.5h; Inert atmosphere;	99%
In chloroform at -30℃; for 0.25h;

: 42441-83-8
acide heptyne-4 oique

: 931-59-9
benzenesulfenyl chloride

A: 109573-95-7
(E)-4-(1-phenylthiopropylidene)butan-4-olide

B: 109573-96-8
(E)-4-chloro-5-phenylthiohept-4-enoic acid

C: 109573-97-9
(E)-5-chloro-4-phenylthiohept-4-enoic acid

Conditions

Conditions	Yield
With 3,4-dihydro-pyrido[1,2-a]pyrimidin-2-one In dichloromethane at -78℃; for 0.666667h; Yields of byproduct given;	A 99% B n/a C n/a
With triethylamine In diethyl ether at -78℃; for 0.583333h; Yield given;	A 45% B n/a C n/a
With 3,4-dihydro-pyrido[1,2-a]pyrimidin-2-one In dichloromethane at -78℃; for 0.666667h; Yield given. Yields of byproduct given;

...Expand

: 13200-60-7
Sarcosine ethyl ester

: 931-59-9
benzenesulfenyl chloride

: 180253-99-0
(Methyl-phenylsulfanyl-amino)-acetic acid ethyl ester

Conditions

Conditions	Yield
With triethylamine In diethyl ether at 0℃; for 1h;	99%

: 421-50-1
1,1,1-trifluoro-2-propanone

: 931-59-9
benzenesulfenyl chloride

: triphenyl orthotrifluorotrithiopyruvate

Conditions

Conditions	Yield
With pyridine at 0 - 5℃; for 25h; sulfenylation;	99%

: (1R,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene

: 931-59-9
benzenesulfenyl chloride

: (1R,8S,9S,10S)-9-Chloro-10-phenylsulfanyl-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

Conditions

Conditions	Yield
In dichloromethane at -78℃; for 1h; Addition;	99%

: 21020-24-6
3-chloro-but-1-yne

: 931-59-9
benzenesulfenyl chloride

: 868519-88-4
(3-chlorobut-1-ynylsulfanyl)benzene

Conditions

Conditions	Yield
With n-butyllithium In diethyl ether; hexane at -80 - 20℃;	99%
Stage #1: 3-chloro-but-1-yne With n-butyllithium In tetrahydrofuran; diethyl ether; hexane at -80℃; for 0.75h; Stage #2: benzenesulfenyl chloride In tetrahydrofuran; diethyl ether; hexane at -80 - 20℃; for 1.08333h;	99%

: 104942-18-9
6,13-dihydro-14-hydroxy-6,13-ethenopentacene

: 931-59-9
benzenesulfenyl chloride

: trans-15-chloro-16-phenylsulfanyl-6,13-dihydro-6,13-ethanopentacene

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 72h;	99%

Benzenesulfenyl chloride Specification

The Benzenesulfenylchloride, with the CAS registry number of 931-59-9, is also known as Phenylthio chloride. This chemical's molecular formula is C₆H₅ClS and molecular weight is 144.6219. What's more, its systematic name is Benzenesulfenyl chloride. In addition, it is unsteady when in contact with H₂O. Besides, it can be used as phenylthio reagent, and it's the intermediate to get anti-scorching agent PTP.

Physical properties about Benzenesulfenylchloride are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 335.32; (6)ACD/BCF (pH 7.4): 335.32; (7)ACD/KOC (pH 5.5): 2235.27; (8)ACD/KOC (pH 7.4): 2235.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 39.59 cm³; (15)Molar Volume: 115.3 cm³; (16)Polarizability: 15.69×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 110.3 °C; (20)Enthalpy of Vaporization: 47.93 kJ/mol; (21)Boiling Point: 261.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0185 mmHg at 25 °C.

Preparation of Benzenesulfenylchloride: this chemical can be produced by Thiophenols' chlorination. First add N-Heptane (or Cyclohexanol) to three mouth bottle, cool it to - 5-0 °C. Then drop Thiophenols slowly when mixing the N-Heptane. Simultaneously, add dry Chlorine into the reaction solution until it turns reddish brown to get Benzenesulfenylchloride.

You can still convert the following datas into molecular structure:
(1) SMILES: ClSc1ccccc1
(2) InChI: InChI=1/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
(3) InChIKey: JWUKZUIGOJBEPC-UHFFFAOYAS

Product Name

Phenylsulfenylchloride

Synthetic route

Benzenesulfenyl chloride Specification

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