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

Modify Date: 2025-12-09 19:36:23

4-(2-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione structure	Common Name	4-(2-methoxyphenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
	CAS Number	54649-01-3	Molecular Weight	350.43700
	Density	1.33g/cm3	Boiling Point	542.9ºC at 760 mmHg
	Molecular Formula	C₁₉H₁₈N₄OS	Melting Point	N/A
	MSDS	N/A	Flash Point	282.2ºC

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

Density	1.33g/cm3
Boiling Point	542.9ºC at 760 mmHg
Molecular Formula	C₁₉H₁₈N₄OS
Molecular Weight	350.43700
Flash Point	282.2ºC
Exact Mass	350.12000
PSA	94.53000
LogP	3.94510
Index of Refraction	1.698
InChIKey	VEAXWCJEAAUBNS-UHFFFAOYSA-N
SMILES	COc1ccccc1-n1c(Cc2c(C)[nH]c3ccccc23)n[nH]c1=S

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XZ5359110

CHEMICAL NAME :: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methoxyphenyl)-5-((2-methyl-1H-indol -3-yl) methyl)-

CAS REGISTRY NUMBER :: 54649-01-3

LAST UPDATED :: 198512

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 :: 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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