5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione

Names

[ CAS No. ]:
114058-92-3

[ Name ]:
5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione

Chemical & Physical Properties

[ Density]:
1.29g/cm3

[ Boiling Point ]:
318.1ºC at 760mmHg

[ Molecular Formula ]:
C11H12ClN3S

[ Molecular Weight ]:
253.75100

[ Exact Mass ]:
253.04400

[ PSA ]:
54.84000

[ LogP ]:
3.29140

[ Vapour Pressure ]:
0.00037mmHg at 25°C

[ Index of Refraction ]:
1.643

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359049
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-
CAS REGISTRY NUMBER :
114058-92-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-Cl-N3-S
MOLECULAR WEIGHT :
253.77

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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 3-(1,2,3,6-tetrahydropyridin-4-yl)-2H,4H,6H,7H-5lambda6-thiopyrano[4,3-c]pyrazole-5,5-dione
  • methyl 1-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyrazole-4-carboxylate
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine