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

Names

[ CAS No. ]:
54649-03-5

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

Chemical & Physical Properties

[ Density]:
1.41g/cm3

[ Boiling Point ]:
548.8ºC at 760 mmHg

[ Molecular Formula ]:
C18H15ClN4S

[ Molecular Weight ]:
354.85700

[ Flash Point ]:
285.7ºC

[ Exact Mass ]:
354.07100

[ PSA ]:
85.30000

[ LogP ]:
4.58990

[ Index of Refraction ]:
1.732

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359050
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(4-chlorophenyl)-5-((2-methyl-1H-indol- 3-yl) methyl)-
CAS REGISTRY NUMBER :
54649-03-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H15-Cl-N4-S
MOLECULAR WEIGHT :
354.88

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

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • N-((6,7,8,9-Tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)methyl)pyrazine-2-carboxamide
  • N-(3-Chlorophenyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-ene-3-carboxamide
  • 4-(2-(Piperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine
  • 4-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
  • 8-(3-Fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecane
  • 3-(1-Cyclopentyl-1H-pyrazol-5-yl)indolizine-1-carboxylic acid
  • 8-((2-Methylthiazol-4-yl)methyl)-1-oxa-4,8-diazaspiro[5.5]undecane
  • 3-(4-(Dimethylcarbamoyl)-1-methylpiperazin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
  • 3-(1-Cyclopentyl-1H-imidazol-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
  • 2-(Benzo[d][1,3]dioxol-5-yl)-2,7-diazaspiro[4.4]nonan-3-one
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