5-phenyl-4h-1,2,4-triazole-3-thiol

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Names

[ CAS No. ]:
3414-94-6

[ Name ]:
5-phenyl-4h-1,2,4-triazole-3-thiol

[Synonym ]:
3-phenyl-1H-1,2,4-triazole-5-thiol
3-Phenyl-1,2,4-triazole-5-thiol hydrate
3-phenyl-5-mercapto-4H-1,2,4-triazole
MFCD00051814
3-phenyl-5-mercapto-1,2,4-triazole
3-mercapto-5-phenyl-1,2,4-triazole
5-phenyl-4h-[1,2,4]triazole-3-thiol
5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
5-phenyl-4H-1,2,4-triazol-3-thiol
5-Phenyl-1H-1,2,4-triazole-3-thiol
3-Phenyl-1,2,4-triazole-5-thiol
3-Mercapto-5-phenyl-s-triazole
5-Phenyl-s-triazole-3-thiol
5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
267.8ºC at 760mmHg

[ Melting Point ]:
254-255°C

[ Molecular Formula ]:
C8H7N3S

[ Molecular Weight ]:
177.22600

[ Flash Point ]:
115.8ºC

[ Exact Mass ]:
177.03600

[ PSA ]:
80.37000

[ LogP ]:
1.76040

[ Index of Refraction ]:
1.731

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5351000
CHEMICAL NAME :
1H-1,2,4-Triazole-3-thiol, 5-phenyl-
CAS REGISTRY NUMBER :
3414-94-6
LAST UPDATED :
199201
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H7-N3-S
MOLECULAR WEIGHT :
177.24
WISWESSER LINE NOTATION :
T5MN DNJ CSH ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD05 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
790 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,42,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 38,2595,1990

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ WGK Germany ]:
3

[ RTECS ]:
XZ5351000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzoic acid,2-(aminothioxomethyl)hydrazide
  • 2-Fenil-5-idrossi-1,3,4-triazolo [Italian]
  • N-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzamide
  • Benzohydrazide
  • 1,8-diphenylbis([1,2,4]triazolo)[3,4-c:4',3'-e][1,2,4,5]dithiadiazine
  • Methyl benzoate
  • 4-amino-5-phenyl-4h-1,2,4-triazole-3-thiol
  • Benzoyl chloride

DownStream

  • 3-ethenylsulfanyl-5-phenyl-1H-1,2,4-triazole
  • 3-PHENYL-1H-1,2,4-TRIAZOLE
  • 2,5-diphenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
  • 6-methyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
  • 5-phenyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
  • Ethyl (2-phenyl(1,3)thiazolo(3,2-b)(1,2,4)triazol-6-yl)acetate
  • 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
  • 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
  • 5-methyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
  • 2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol
  • 4-amino-5-phenyl-4h-1,2,4-triazole-3-thiol
  • 4-BUTYL-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
  • 4-benzyl-5-phenyl-4H-1,2,4-triazole-3-thiol
  • 4-Isobutyl-5-phenyl-4H-1,2,4-triazole-3-thiol
  • 4-Isobutyl-5-phenyl-4H-1,2,4-triazole-3-thiol
  • 3-amino-N-[3-(dimethylamino)propyl]-1-ethyl-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(3-isopropoxypropyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(2-ethylphenyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
  • 3-amino-1-ethyl-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-5-carboxamide
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