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

Modify Date: 2024-04-07 00:05:15

4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione Structure
4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione structure
Common Name 4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione
CAS Number 114058-89-8 Molecular Weight 219.30600
Density 1.17g/cm3 Boiling Point 291.5ºC at 760mmHg
Molecular Formula C11H13N3S Melting Point N/A
MSDS N/A Flash Point 130.1ºC

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synthetic Route

~%

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

4-ethyl-2-methy...

CAS#:114058-89-8

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

 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