114058-92-3

114058-92-3 structure
114058-92-3 structure

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

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

~66%

114058-92-3 structure

114058-92-3

Literature: Kane, John M.; Dudley, Mark W.; Sorensen, Stephen M.; Miller, Francis P. Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1253 - 1258

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114058-92-3 structure

114058-92-3

Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914

~%

114058-92-3 structure

114058-92-3

Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914

~%

114058-92-3 structure

114058-92-3

Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914