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

Names

[ CAS No. ]:
114058-89-8

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

[Synonym ]:
2,4-Dihydro-4-ethyl-2-methyl-5-phenyl-3H-1,2,4-triazole-3-thione
3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-ethyl-2-methyl-5-phenyl
3H-1,2,4-Triazole-3-thione,4-ethyl-2,4-dihydro-2-methyl-5-phenyl

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Boiling Point ]:
291.5ºC at 760mmHg

[ Molecular Formula ]:
C11H13N3S

[ Molecular Weight ]:
219.30600

[ Flash Point ]:
130.1ºC

[ Exact Mass ]:
219.08300

[ PSA ]:
54.84000

[ LogP ]:
2.63800

[ Vapour Pressure ]:
0.00194mmHg at 25°C

[ Index of Refraction ]:
1.629

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359087
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-ethyl-2-methyl-5-phenyl-
CAS REGISTRY NUMBER :
114058-89-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H13-N3-S
MOLECULAR WEIGHT :
219.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 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

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 5-(4-chlorophenyl)-4-ethyl-2-methyl-1,2,4-triazole-3-thione
  • 2-METHYL-5-PHENYL-2H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID
  • 4-ethyl-2-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
  • 3-Ethyl-2-methyl-5-phenyl-3,4-dihydro-2H-[1,2,4,3]triazaphosphole
  • 1-Methyl-3-phenyl-1H-1,2,4-triazole-5-carbaldehyde
  • 4-ethyl-2-methyl-5-phenyl-1,3-oxazole