4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione

Names

[ CAS No. ]:
54649-02-4

[ Name ]:
4-(4-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione

Chemical & Physical Properties

[ Density]:
1.33g/cm3

[ Boiling Point ]:
556.7ºC at 760 mmHg

[ Molecular Formula ]:
C19H18N4OS

[ Molecular Weight ]:
350.43700

[ Flash Point ]:
290.5ºC

[ Exact Mass ]:
350.12000

[ PSA ]:
94.53000

[ LogP ]:
3.94510

[ Index of Refraction ]:
1.698

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359120
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(4-methoxyphenyl)-5-((2-methyl-1H-indol -3-yl) methyl)-
CAS REGISTRY NUMBER :
54649-02-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H18-N4-O-S
MOLECULAR WEIGHT :
350.47

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 :
450 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
CNJPAZ Canadian Journal of Pharmaceutical Sciences. (Toronto, Ont., Canada) V.1-16, 1966-81. Discontinued. Volume(issue)/page/year: 9,108,1974

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 5-Cyclopropyl-2-propylpiperidin-3-amine
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methyl-2-phenoxypropanoate
  • 2-amino-2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-ol
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-[(carbamoylamino)methyl]benzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-[(propan-2-yloxy)methyl]benzoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2,2-difluoro-2-(1-methoxycyclohexyl)acetate
  • 4-Bromo-3-(dimethylphosphoryl)benzonitrile
  • 1-(2,2-difluoroethyl)-4-formyl-1H-pyrazole-5-sulfonyl chloride
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1,1-dioxo-1lambda6-thiane-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-cyclobutylbenzoate
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