4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione

Names

[ CAS No. ]:
38942-51-7

[ Name ]:
4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione

[Synonym ]:
4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
4H-1,2,4-Triazole-3-thiol,4-methyl-5-phenyl
2,4-Dihydro-4-methyl-5-phenyl-3H-1,2,4-triazole-3-thione
ENT 25,558-X
5-phenyl-4-methyl-3H-1,2,4-triazole-3-thione
5-phenyl-4-methyl-1,2,4-triazoline-3-thione
4-methyl-5-phenyl-1,2,4-triazole-3-thiol

Chemical & Physical Properties

[ Density]:
1.28g/cm3

[ Boiling Point ]:
270.1ºC at 760mmHg

[ Molecular Formula ]:
C9H9N3S

[ Molecular Weight ]:
191.25300

[ Flash Point ]:
117.1ºC

[ Exact Mass ]:
191.05200

[ PSA ]:
65.70000

[ LogP ]:
2.14470

[ Index of Refraction ]:
1.68

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5350000
CHEMICAL NAME :
4H-1,2,4-Triazole-3-thiol, 4-methyl-5-phenyl-
CAS REGISTRY NUMBER :
38942-51-7
LAST UPDATED :
199509
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H9-N3-S
MOLECULAR WEIGHT :
191.27
WISWESSER LINE NOTATION :
T5NN DNJ CSH D1 ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARSIM* Agricultural Research Service, USDA Information Memorandum. (Beltsville, MD 20705) Volume(issue)/page/year: 20,10,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 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: 31,1253,1988

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • BUTTPARK 58\40-77
  • SodiuM bicarbonate
  • Hydrazinecarbothioamide,N-methyl-2-(phenylmethylene)-
  • Benzohydrazide
  • Benzoyl chloride
  • Methyl isothiocyanate
  • benzoic acid
  • Methyl benzoate

DownStream

  • 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
  • 4-methyl-3-methylsulfonyl-5-phenyl-1,2,4-triazole

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-methyl-3-(thiophen-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione
  • 4-methyl-3-piperidin-1-yl-1H-1,2,4-triazole-5-thione
  • 4-methyl-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole-5-thione
  • 4-(2-methylpropyl)-3-phenyl-1H-1,2,4-triazole-5-thione
  • 4-[(3-methylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
  • 4-naphthalen-1-yl-3-phenyl-1H-1,2,4-triazole-5-thione