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54649-04-6

54649-04-6 structure

54649-04-6 structure

Name: 4-(4-bromophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Chemical 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 Formula: C₁₈H₁₅BrN₄S
Molecular Weight: 399.30800
Create Date: 2017-10-04 10:41:26
Modify Date: 2025-08-25 19:47:47

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

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

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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