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
Chemical Name: 5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazole-3-thione
CAS Number: 114058-92-3
Molecular Formula: C₁₁H₁₂ClN₃S
Molecular Weight: 253.75100
Create Date: 2017-08-23 05:48:45
Modify Date: 2024-04-03 16:03:15

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

114058-88-7 structure

114058-88-7

~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

116114-20-6 structure

116114-20-6

~%

114058-92-3 structure

114058-92-3

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

116114-17-1 structure

116114-17-1

~%

114058-92-3 structure

114058-92-3

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

536-40-3 structure

536-40-3

~%

114058-92-3 structure

114058-92-3

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