114058-89-8

114058-89-8 structure

114058-89-8 structure

Name: 4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione
Chemical Name: 4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione
CAS Number: 114058-89-8
Molecular Formula: C₁₁H₁₃N₃S
Molecular Weight: 219.30600
Create Date: 2017-08-19 21:52:42
Modify Date: 2024-04-07 00:05:15

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

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

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

98-88-4 structure

98-88-4

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114058-89-8 structure

114058-89-8

Literature: Journal of Medicinal Chemistry, , vol. 31, # 6 p. 1253 - 1258