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

Modify Date: 2025-08-25 19:47:47

4-(4-bromophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione Structure
4-(4-bromophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione structure
 Common Name 4-(4-bromophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
CAS Number 54649-04-6 Molecular Weight 399.30800
Density 1.57g/cm3 Boiling Point 561.7ºC at 760 mmHg
Molecular Formula C18H15BrN4S Melting Point N/A
MSDS N/A Flash Point 293.5ºC

 Names

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

 Chemical & Physical Properties

Density 1.57g/cm3
Boiling Point 561.7ºC at 760 mmHg
Molecular Formula C18H15BrN4S
Molecular Weight 399.30800
Flash Point 293.5ºC
Exact Mass 398.02000
PSA 85.30000
LogP 4.69900
Index of Refraction 1.748
InChIKey XWROEPWYPUSRKR-UHFFFAOYSA-N
SMILES Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1-c1ccc(Br)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359010
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(4-bromophenyl)-5-((2-methyl-1H-indol-3 -yl) methyl)-
CAS REGISTRY NUMBER :
54649-04-6
LAST UPDATED :
198512
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H15-Br-N4-S
MOLECULAR WEIGHT :
399.34

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
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Chemsrc provides CAS#:54649-04-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(4-bromophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione>> amp version: 4-(4-bromophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione

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