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

Names

[ CAS No. ]:
54649-05-7

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

Chemical & Physical Properties

[ Density]:
1.72g/cm3

[ Boiling Point ]:
574.3ºC at 760 mmHg

[ Molecular Formula ]:
C18H15IN4S

[ Molecular Weight ]:
446.30800

[ Flash Point ]:
301.1ºC

[ Exact Mass ]:
446.00600

[ PSA ]:
85.30000

[ LogP ]:
4.54110

[ Index of Refraction ]:
1.777

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359090
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(4-iodophenyl)-5-((2-methyl-1H-indol-3- yl)methyl)-
CAS REGISTRY NUMBER :
54649-05-7
LAST UPDATED :
198512
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H15-I-N4-S
MOLECULAR WEIGHT :
446.33

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 :
500 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

Related Compounds

  • Benzene, 1-methoxy-4-methyl-2-(2-nitroethenyl)-
  • 8-(aminomethyl)-2-methyl-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-1,1-dione
  • N-(3-amino-2,2-difluoropropyl)-N,2,2-trimethylcyclobutan-1-amine
  • [2,2-Difluoro-3-(2-methoxy-2-methylpropoxy)propyl](methyl)amine
  • 2-[2-(Methoxymethyl)oxan-2-yl]propanoic acid
  • 2,4-Dihydro-4-[(2-hydroxy-5-benzofuranyl)methylene]-5-methyl-2-(4-nitrophenyl)-3H-pyrazol-3-one
  • 3-(3-Bromophenyl)-3,5-dihydro-2-(4-methylphenyl)-5-[(4-nitrophenyl)methylene]-4H-imidazol-4-one
  • Butanoic acid, 2,2-dimethyl-4-[(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-8-yl)amino]-
  • Ethyl 2-butanoyl-5,5-dimethyl-4-oxoheptanoate
  • 7-oxo-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-8-(propan-2-yl)-7H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
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