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

  • (5-Chloro-2-(trifluoromethyl)pyridin-4-YL)methanamine
  • 4-Chloro-6-methoxy-1H-pyrazolo[3,4-D]pyrimidine
  • tert-butyl 4-iodo-2,3-dihydro-1H-pyrrole-1-carboxylate
  • L-Tryptophyl-L-leucyl-L-seryl-L-prolyl-N~5~-(diaminomethylidene)-L-ornithyl-L-lysyl-L-histidine
  • Sodium 2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]acetate
  • (3AR,6AR)-Tert-butyl 5-oxohexahydropyrrolo[3,2-B]pyrrole-1(2H)-carboxylate
  • (R)-1-(Pyrrolidin-3-YL)-1H-pyrazole
  • 6-Tert-butyl-5-cyclopropoxy-N-methylpicolinamide
  • 3-tert-butylsulfanylazetidine
  • tert-Butyl (R)-(1-amino-1-iminopropan-2-yl)carbamate
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