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
  • 3,4-Bis(butylthio)thiophene
  • 1-(2-Chloro-6-methylphenyl)ethan-1-one
  • 8-[(4-methoxyphenyl)sulfonyl]-7-methyl-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
  • 7-((3-chlorobenzyl)oxy)-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
  • 2-Hydroxyphenyl sulfamate
  • N-cyclohexyl-N-ethyl-2-(1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl)-2-oxoacetamide
  • N-[(2Z)-3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide
  • 4-({S-benzyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-cysteinyl}amino)butanoic acid
  • 2-[(4-Bromophenyl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
  • C31H34N2O7S2
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