2-(2,4-Dimethylphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole

Modify Date: 2025-11-25 11:32:33

2-(2,4-Dimethylphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole structure	Common Name	2-(2,4-Dimethylphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole
	CAS Number	66355-03-1	Molecular Weight	335.42600
	Density	1.37g/cm3	Boiling Point	584.1ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₇N₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	307.1ºC

Name	2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole

Density	1.37g/cm3
Boiling Point	584.1ºC at 760 mmHg
Molecular Formula	C₁₈H₁₇N₅S
Molecular Weight	335.42600
Flash Point	307.1ºC
Exact Mass	335.12000
PSA	95.55000
LogP	4.25710
Index of Refraction	1.727
InChIKey	QYTWSUBGAJZYQS-UHFFFAOYSA-N
SMILES	Cc1ccc(-c2[nH]c3ccccc3c2SCc2nn[nH]n2)c(C)c1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL7839700

CHEMICAL NAME :: 1H-Indole, 2-(2,4-dimethylphenyl)-3-((1H-tetrazol-5-ylmethyl)thi o)-

CAS REGISTRY NUMBER :: 66355-03-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H17-N5-S

MOLECULAR WEIGHT :: 335.46

WISWESSER LINE NOTATION :: T56 BMJ CR B1 D1& DS1- ET5NMNNJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 12,525,1977

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Product Name: 2-(2,4-Dimethylphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole
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