1-Phenyltetrazole-5-thiol supplier

Name
1-Phenyltetrazole-5-thiol
EINECS 201-710-5
CAS No. 86-93-1
Article Data46
CAS DataBase
Density 1.463 g/cm³
Solubility Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol.
Melting Point 145 °C (dec.)(lit.)
Formula C₇H₆N₄S
Boiling Point 241.669 °C at 760 mmHg
Molecular Weight 178.217
Flash Point 99.958 °C
Transport Information UN 1325 4.1/PG 2
Appearance white fluffy or crystalline powder or crystals
Safety 22-24/25
Risk Codes 5-22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,2,3,4-Tetrazole-5-thiol,1-phenyl- (4CI);1H-Tetrazole-5-thiol, 1-phenyl- (8CI);2-Tetrazoline-5-thione,1-phenyl- (6CI,7CI);(1-Phenyltetrazol-5-yl)mercaptan;1-Phenyl-1H-tetrazol-5-thiol;1-Phenyl-1H-tetrazole-5-thione;1-Phenyl-2-tetrazoline-5-thione;1-Phenyl-5-mercapto-1,2,3,4-tetrazole;1-Phenyl-5-mercapto-1H-tetrazole;1-Phenyl-5-thio-1,2,3,4-tetrazole;1-Phenyl-5-thioxo-4,5-dihydrotetrazole;1-Phenyltetrazoline-5-thione;5-Mercapto-1-phenyl-1,2,3,4-tetrazole;5-Mercapto-1-phenyl-1H-tetrazole;5-Sulfanyl-1-phenyl-1H-tetrazole;NSC 24018;NSC 67819;
PSA 82.40000
LogP 0.95100

Synthetic route

: 103-72-0
phenyl isothiocyanate

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With sodium azide; zinc(II) chloride In acetonitrile at 80℃; for 1h;	99%
With sodium azide In water at 90℃; for 16h; Inert atmosphere;	75%
With sodium azide In ethanol at 70℃; for 3h; Cyclization;

: 18418-42-3
phenyl-dithiocarbamic acid; sodium salt

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
Stage #1: phenyl-dithiocarbamic acid; sodium salt With sodium azide; sodium carbonate In water at 92℃; for 10h; Large scale; Stage #2: With sulfuric acid In water for 0.5h; pH=3; Reagent/catalyst; Temperature; pH-value; Large scale;	93.7%

: 32276-00-9
S,S"-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate

: 95-85-2
2-hydroxy-5-chloro-aniline

A: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

B: 95-25-0
5-chloro-2-benzoxazolinone

Conditions

Conditions	Yield
In acetonitrile for 12h;	A n/a B 92%

...Expand

: 1-phenyl-4-(tetrahydro-2H-pyran-2-yl)-1H-tetrazole-5(4H)-thione

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With hydrogenchloride In water; isopropyl alcohol at 40℃;	92%

: 32276-00-9
S,S"-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate

: 95-55-6
2-amino-phenol

A: 59-49-4
2-Benzoxazolinone

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
In acetonitrile for 12h;	A 89% B n/a

...Expand

: 32276-00-9
S,S"-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate

: 95-54-5
1,2-diamino-benzene

A: 615-16-7
1,3-dihydro-2H-benzimidazol-2-one

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
In acetonitrile for 12h;	A 87% B n/a

...Expand

: 18233-34-6
5-bromo-1-phenyl-1H-tetrazole

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
Stage #1: 5-bromo-1-phenyl-1H-tetrazole With thiourea In ethanol at 60℃; for 10h; Stage #2: With sodium hydroxide In ethanol at 25 - 50℃; for 3h; Reagent/catalyst; Temperature;	86.4%

: 65753-93-7
N-methyl-2-dimethylamino-acetohydroxamic acid

: 84598-74-3
3-(1-Phenyl-1H-tetrazol-5-ylsulfanyl)-3H-isobenzofuran-1-one

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
In tetrahydrofuran; water; N,N-dimethyl-formamide at 40℃; for 3h; 0.1M aq. phosphate buffer pH 7.6;	86%

: 14210-25-4
5-Chloro-1-phenyltetrazole

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
Stage #1: 5-Chloro-1-phenyltetrazole With thiourea In ethanol at 60℃; for 10h; Stage #2: With sodium hydroxide In ethanol at 30 - 50℃; for 3h; Temperature;	77%

: 16867-03-1
2-amino-3-hydroxypyridine

: 32276-00-9
S,S"-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate

A: 60832-72-6
2,3-dihydro[1,3]oxazolo[4,5-b]pyridin-2-one

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
In acetonitrile for 12h;	A 68% B n/a

...Expand

: 32276-00-9
S,S"-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate

: 137-07-5
2-amino-benzenethiol

A: 934-34-9
2(3H)-Benzothiazolone

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
In acetonitrile for 12h;	A 60% B n/a

...Expand

: 13078-30-3
5-anilino-1,2,3,4-thiatriazole

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With sodium hydroxide In water for 0.5h; Heating;	50%
With sodium hydroxide

: 145614-22-8
(E)-1-<1-phenyl-5(1H)-tetrazolylthio>propan-2-one oxime

A: 134252-16-7
1-hydroxy-2-propanone oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

: 1-Hydroxy-3-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-propan-2-one oxime

A: 37110-18-2
1,3-dihydroxyacetone oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

: 145614-23-9
(E)-3-<1-phenyl-5(1H)-tetrazolylthio>butan-2-one oxime

A: 37110-17-1
3-hydroxybutan-2-one oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant;

: 145614-30-8
2-<1-phenyl-5(1H)-tetrazolylthio>cyclopentanone oxime

A: 14352-55-7
2-Hydroxy-cyclopentan-1-on-oxim

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

: 145614-34-2
2-<1-phenyl-5(1H)-tetrazolylthio>cyclohexanone oxime

A: 3307-35-5
2-hydroxycyclohexanonoxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

: 2-Hydroxy-4-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-pentan-3-one oxime

A: 98137-61-2
2,4-dihydroxy-pentan-3-one oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant;

: 145614-21-7
(E)-2-phenyl-2-<1-phenyl-5(1H)-tetrazolylthio>propanal oxime

A: 115051-47-3
2-hydroxy-2-phenyl-propionaldehyde-oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant;

: 145614-27-3
1-phenyl-1-<1-phenyl-5(1H)-tetrazolylthio>propan-2-one oxime

A: 26226-58-4
1-Hydroxy-1-phenyl-2-propanone oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant;

: 145614-26-2
α-<1-phenyl-5(1H)-tetrazolylthio>-4-methoxyacetophenone oxime

A: 86790-89-8, 86790-91-2
2-hydroxy-1-(4-methoxyphenyl)ethanone oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

: 115786-72-6
1,3-bis<1-phenyl-5(1H)-tetrazolylthio>propan-2-one oxime

A: 1-Hydroxy-3-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-propan-2-one oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant; Equilibrium constant; Thermodynamic data; ΔH(excit.), ΔS(excit.);

: 145614-24-0
2,4-Bis-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-pentan-3-one oxime

A: 2-Hydroxy-4-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-pentan-3-one oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant;

: 145614-42-2
(Z)-2-acetaldehyde oxime

A: 37110-02-4
hydroxyacetaldehyde oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant; Mechanism; other substituted oximes;

: 145614-19-3
(E)-2-acetaldehyde oxime

A: 37110-02-4
hydroxyacetaldehyde oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant;

: 145614-46-6
(Z)-2-<1-phenyl-5(1H)-tetrazolylthioacetyl>phenol oxime

A: 2-Hydroxy-1-(2-hydroxy-phenyl)-ethanone oxime

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 22℃; Rate constant;

: 32276-00-9
S,S"-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate

: 65-85-0
benzoic acid

: 100-46-9
benzylamine

A: 1485-70-7
N-benzylbenzamide

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

Conditions

Conditions	Yield
With triethylamine Product distribution; multistep reaction; var. carboxylic acid and amines;

...Expand

: 5117-07-7
5,5'-dithiobis(1-phenyl-1H-tetrazole)

alkaline solution: alkaline solution

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 5117-07-7
5,5'-dithiobis(1-phenyl-1H-tetrazole)

diluted NaOH-solution: diluted NaOH-solution

A: 5378-52-9
phenyl-1H-tetrazole

B: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

...Expand

: 5117-07-7
5,5'-dithiobis(1-phenyl-1H-tetrazole)

: 124-41-4
sodium methylate

A: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

B compound of triphenyl-isomelamine with phenyl cyanamide: compound of triphenyl-isomelamine with phenyl cyanamide

...Expand

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 359766-31-7
Benzoic acid (2S,3R,4R,5R,6R)-5-hydroxy-6-((E)-3-hydroxy-propenyl)-4-methanesulfonyloxy-5-methyl-2-triisopropylsilanyloxy-tetrahydro-pyran-3-yl ester

: 359766-38-4
Benzoic acid (2S,3R,4R,5R,6R)-5-hydroxy-4-methanesulfonyloxy-5-methyl-6-[(E)-3-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-propenyl]-2-triisopropylsilanyloxy-tetrahydro-pyran-3-yl ester

Conditions

Conditions	Yield
With tributylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0℃; for 0.5h; Mitsunobu reaction;	100%

: 861997-60-6
7-(2-heptyl-[1,3]dithian-2-yl)-heptan-1-ol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 861997-61-7
5-[7-(2-heptyl-[1,3]dithian-2-yl)-heptylsulfanyl]-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine for 0.166667h;	100%

: 100-39-0
benzyl bromide

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 3206-48-2
BI-83B3

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 25℃;	100%
With tetrabutylammomium bromide; sodium hydroxide In water; toluene for 3h; Reflux;	84%
With potassium carbonate In acetone at 70℃; for 2h;	75%
With triethylamine In tetrahydrofuran for 6h; Heating;

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 111-27-3
hexan-1-ol

: 5-hexylthio-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 0 - 20℃; for 0.5h; Inert atmosphere;	100%
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 1h;	95%

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 74-88-4
methyl iodide

: 1455-92-1
5-methylsulfanyl-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 25℃;	100%
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 2h;	99%
With triethylamine In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere;	78%
Stage #1: 1-Phenyl-1H-tetrazole-5-thiol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran; mineral oil at 0 - 20℃; Inert atmosphere;

: 107-19-7
propargyl alcohol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 53918-41-5
1-phenyl-5-(prop-2-yn-1-ylsulfanyl)-1H-tetrazole

Conditions

Conditions	Yield
With bis(4-chlorobenzyl) diazene-1,2-dicarboxylate; triphenylphosphine In dichloromethane at 20℃; for 1.5h; Mitsunobu reaction;	100%
With bis(4-chlorobenzyl) diazene-1,2-dicarboxylate; triphenylphosphine for 1.5h; Mitsunobu reaction;	100%
With DMAB; triphenylphosphine In toluene at 20℃; Solvent; Reagent/catalyst; Mitsunobu Displacement;	99%

: 625114-56-9
8-iodomethyl-1,4-dioxa-spiro[4.5]decane

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1010815-07-2
5-(1,4-dioxaspiro[4.5]dec-8-ylmethylsulfanyl)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 80℃; for 2.5h;	100%

: 881657-58-5
tert-butyl ((3R,6S)-6-(iodomethyl)tetrahydro-2H-pyran-3-yl)carbamate

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 881657-48-3
tert-butyl ((3R,6S)-6-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-tetrahydro-2H-pyran-3-yl)carbamate

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 1h; Heating / reflux;	100%
Stage #1: 1-Phenyl-1H-tetrazole-5-thiol With potassium hydroxide In ethanol for 1h; Heating / reflux; Stage #2: tert-butyl ((3R,6S)-6-(iodomethyl)tetrahydro-2H-pyran-3-yl)carbamate In ethanol Heating / reflux;

: 33730-69-7
(diphenylphosphoryl)methyl p-toluenesulfonate

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1021879-80-0
α-(diphenylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 4h;	100%

: 1067185-78-7
(4S,6R)-4-benzyloxymethyl-6-(2-iodoethyl)-2,2-dimethyl-1,3-dioxane

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1067185-77-6
5-(2-((4R,6S)-6-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)ethylthio)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With potassium sulfite; 18-crown-6 ether In dichloromethane at 20℃; for 24h;	100%

: 1186073-80-2
C27H50O5Si

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1186073-96-0
C34H54N4O4SSi

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Inert atmosphere;	100%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 12h;	87%

: 1333237-38-9
((4S,5S,6R)-5-chloro-2,2-dimethyl-6-((S)-1,1,4-trichloro-4-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)butyl)-1,3-dioxan-4-yl)methanol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1333237-39-0
5-((((4S,5S,6R)-5-chloro-2,2-dimethyl-6-((S)-1,1,4-trichloro-4-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)butyl)-1,3-dioxan-4-yl)methyl)thio)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1h; Mitsunobu Displacement; Inert atmosphere;	100%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1h; Mitsunobu reaction; Inert atmosphere;	85%

: 107-06-2
1,2-dichloro-ethane

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1153358-38-3
5-((2-chloroethyl)thio)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 60℃; for 72h;	100%
With potassium carbonate for 48h; Reflux;

: 96154-47-1
(R)-2-methyl-1,4-butanediol 4-benzyl ether

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1443232-98-1
5-[(2R)-4-benzoxy-2-methylbutylsulfanyl]-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere;	100%

: 1443233-18-8
8-(tert-butyldiphenylsilyloxy)-(3S,7R)-3,7-dimethyl-1-octanol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1443233-26-8
5-[8-(tert-butyldiphenylsilyloxy)-(3S,7R)-3,7-dimethyloctylsulfanyl]-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere;	100%

: 1443233-29-1
13-benzoxy-(2R,6S,10S)-2,6,10-trimethyl-1-tridecanol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1443233-30-4
5-[13-benzoxy-(2R,6R,10S)-2,6,10-trimethyl-1-tridecylsulfanyl]-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 0.5h; Inert atmosphere;	100%

: 2969-81-5
4-bromoethylbutanoate

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1173997-34-6
ethyl-4-[(1-phenyl-1H-tetrazole-5-yl)thio]butanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	100%
With potassium carbonate In acetone at 20℃; for 12h; Inert atmosphere;

: (2R,3R,E)-5-iodo-3-((4-methoxybenzyl)oxy)-2-methylpent-4-en-1-ol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 5-(((2S,3R,E)-5-iodo-3-((4-methoxybenzyl)oxy)-2-methylpent-4-en-1-yl)thio)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 2.5h; Inert atmosphere;	100%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 6h;	92%
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 2h; Mitsunobu Displacement; Inert atmosphere;	91%

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 106-89-8
epichlorohydrin

: (+/-)-3-chloro-1-(1-phenyl-1H-1,2,3,4-tetrazol-5-ylthio)-2-propanol

Conditions

Conditions	Yield
In neat (no solvent) at 20℃;	100%

: 836-27-1
1,3-dimethoxy-5-(5-hydroxypentyl)benzene

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: C20H24N4O2S

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 0 - 20℃; for 24h; Mitsunobu Displacement; Inert atmosphere;	100%

: 4286-55-9
1-bromo-6-hexanol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 934502-98-4
6-(1-phenyl-1H-tetrazole-5-ylsulfanyl)hexane-1-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20 - 40℃; for 18h;	99.5%

: 63358-55-4
trans-5,6-dihydro-6-(hydroxymethyl)-2-methoxy-2H-pyran

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 343764-60-3
5-(6-methoxy-3,6-dihydro-2H-pyran-2-ylmethylsulfanyl)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 12h;	99%

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 457100-61-7
(S)-5-(4-methoxyphenoxy)-hexan-1-ol

: 5-[(S)-5-(4-methoxyphenoxy)-hexylsulfanyl]-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 12h; Mitsunobu coupling;	99%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	91%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Mitsunobu coupling;

: 54314-84-0
1-[(3-bromopropoxy)methyl]-benzene

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 1023306-27-5
5-(3-benzyloxypropylsulfanyl)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 18h;	99%
With sodium hydride In N,N-dimethyl-formamide

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 745058-38-2
(4R,6S)-4-(2-iodoethyl)-2,2-dimethyl-6-phenethyl-[1,3]dioxane

: 485321-90-2
5-{2-[(4R,6S)-2,2-dimethyl-6-phenethyl-[1,3]dioxan-4-yl]-ethylsulfanyl}-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
Stage #1: 1-Phenyl-1H-tetrazole-5-thiol With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: (4R,6S)-4-(2-iodoethyl)-2,2-dimethyl-6-phenethyl-[1,3]dioxane In tetrahydrofuran; N,N-dimethyl-formamide Williamson etherification;	99%

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 735317-63-2
(R)-2-{(4R,5S)-5-[(S)-1-(tert-Butyl-diphenyl-silanyloxy)-ethyl]-4-methyl-4,5-dihydro-isoxazol-3-yl}-propan-1-ol

: 735317-66-5
5-((R)-2-{(4R,5S)-5-[(S)-1-(tert-Butyl-diphenyl-silanyloxy)-ethyl]-4-methyl-4,5-dihydro-isoxazol-3-yl}-propylsulfanyl)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 1.5h;	99%

: 629-76-5
pentadecanol

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 861997-80-0
5-pentadecylsulfanyl-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine for 0.166667h;	99%

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

2-halo-1-naphthalen-2-yl-ethanone: 2-halo-1-naphthalen-2-yl-ethanone

: 1-naphthalen-2-yl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-ethanone

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	99%

: 934503-46-5
(16S,17S)-1-bromo-16-methoxy-17-methylpentatriacontane

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 934503-48-7
5-((16S,17S)-16-methoxy-17-methylpentatriacontyl-1-sulfanyl)-1-phenyl-1H-tetrazole

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20 - 40℃; for 18h;	99%

1-Phenyltetrazole-5-thiol Consensus Reports

Reported in EPA TSCA Inventory.

1-Phenyltetrazole-5-thiol Specification

The 1-Phenyltetrazole-5-thiol, with the CAS registry number 86-93-1, is also known as 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione. It belongs to the product category of Fine Chemical & Intermediates. Its EINECS registry number is 201-710-5. This chemical's molecular formula is C₇H₆N₄S and molecular weight is 178.21. What's more, its IUPAC name is called 1-Phenyl-2H-tetrazole-5-thione. It should be stored in a cool, dry and sealed place.

Physical properties about 1-Phenyltetrazole-5-thiol are: (1)ACD/LogP: 0.658; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 1.86; (6)ACD/BCF (pH 7.4): 1.86; (7)ACD/KOC (pH 5.5): 54.29; (8)ACD/KOC (pH 7.4): 54.29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.08 Å²; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 50.148 cm³; (15)Molar Volume: 121.772 cm³; (16)Surface Tension: 58.8139991760254 dyne/cm; (17)Density: 1.463 g/cm³; (18)Flash Point: 99.958 °C; (19)Enthalpy of Vaporization: 47.863 kJ/mol; (20)Boiling Point: 241.669 °C at 760 mmHg; (21)Vapour Pressure: 0.0350000001490116 mmHg at 25 °C.

Preparation of 1-Phenyltetrazole-5-thiol: this chemical can be prepared by Phenyl-[1,2,3,4]thiatriazol-5-yl-amine. This reaction needs reagent sodium hydroxide and solvent H₂O. The reaction time is 30 min.

1-Phenyltetrazole-5-thiol can be prepared by Phenyl-[1,2,3,4]thiatriazol-5-yl-amine.

Uses of 1-Phenyltetrazole-5-thiol: (1) it is used as intermediate, photography and ash agent; (2) it is used to produce other chemicals. For example, it can react with 3-Bromo-cyclohexene to get 5-(Cyclohex-2-enylsulfanyl)-1-phenyl-1H-tetrazole. The reaction occurs with reagent NEt₃ and other solvent diethyl ether at temperature of 20-25 °C. The yield is 93 %.

1-Phenyltetrazole-5-thiol can react with 3-Bromo-cyclohexene to get 5-(Cyclohex-2-enylsulfanyl)-1-phenyl-1H-tetrazole.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It is harmful if swallowed and heating may cause an explosion. Therefore, the gas can not be breathed. You should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C2/N=N\NN2c1ccccc1
(2) InChI: InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
(3) InChIKey: GGZHVNZHFYCSEV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	250mg/kg (250mg/kg)		National Technical Information Service. Vol. AD691-490,
mouse	LD50	oral	1750mg/kg (1750mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(1), Pg. 55, 1980.

Product Name

1-Phenyltetrazole-5-thiol

Synthetic route

1-Phenyltetrazole-5-thiol Consensus Reports

1-Phenyltetrazole-5-thiol Specification

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