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

Modify Date: 2025-09-25 15:57:16

4-(4-iodophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione structure	Common Name	4-(4-iodophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
	CAS Number	54649-05-7	Molecular Weight	446.30800
	Density	1.72g/cm3	Boiling Point	574.3ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₅IN₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	301.1ºC

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

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
InChIKey	AJWMIUGKGODHHJ-UHFFFAOYSA-N
SMILES	Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1-c1ccc(I)cc1

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

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