3-ethylsulfanyl-4-methyl-5-phenyl-1,2,4-triazole

Names

[ CAS No. ]:
116850-61-4

[ Name ]:
3-ethylsulfanyl-4-methyl-5-phenyl-1,2,4-triazole

[Synonym ]:
5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole

Chemical & Physical Properties

[ Density]:
1.18g/cm3

[ Boiling Point ]:
397.2ºC at 760mmHg

[ Molecular Formula ]:
C₁₁H₁₃N₃S

[ Molecular Weight ]:
219.30600

[ Flash Point ]:
194ºC

[ Exact Mass ]:
219.08300

[ PSA ]:
56.01000

[ LogP ]:
2.59410

[ Vapour Pressure ]:
1.61E-06mmHg at 25°C

[ Index of Refraction ]:
1.625

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ4915450

CHEMICAL NAME :: 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-

CAS REGISTRY NUMBER :: 116850-61-4

LAST UPDATED :: 199503

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: 37,125,1994

Related Compounds

3-ethylsulfonyl-4-methyl-5-phenyl-1,2,4-triazole
3-ethylsulfinyl-4-methyl-5-phenyl-1,2,4-triazole
3-methoxy-4-methyl-5-phenyl-1,2,4-triazole
3-(Chloromethyl)-4-methyl-5-phenyl-4H-1,2,4-triazole hydrochloride (1:1)
3-(4-chlorophenyl)-1-methyl-5-phenyl-1H-1,2,4-triazole
3-(Adamantan-1-yl)-4-methyl-5-phenyl-4H-1,2,4-triazole