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
  • tert-butyl N-{3-[(cyclopentylmethyl)amino]propyl}carbamate hydrochloride
  • 2-Ethyl-6-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
  • N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
  • piperidin-2-ylmethyl N-methylcarbamate hydrochloride
  • 5-methyl-1-(piperidin-4-yl)-1H-pyrazole-4-carboxylic acid dihydrochloride
  • (1-Methoxy-4-phenylcyclohexyl)methanamine hydrochloride
  • [2-(Methylamino)ethyl][2-(pyrrolidin-1-yl)ethyl]amine trihydrochloride
  • 6-(Trifluoromethyl)piperidine-2-carboxylic acid hydrochloride
  • 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide hydrochloride
  • (3R)-1-(ethanesulfonyl)-3-methylpiperazine hydrochloride