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

CAS: 66355-03-1

Molecular Formula	`C18H17N5S`
Molecular Weight	335.4 g/mol
LogP	4.0
Topological Polar Surface Area	95.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	335.12045
Heavy Atoms	24
Complexity	422.0

Chemical Identifiers

CAS Number	66355-03-1
SMILES	`CC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)C`
InChIKey	`QYTWSUBGAJZYQS-UHFFFAOYSA-N`

📖 Product Overview

2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole (CAS: 66355-03-1) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.4 g/mol. Its IUPAC systematic name is 2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole. LogP 4.0 Topological Polar Surface Area 95.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 335.12045 Heavy Atoms 24 Complexity 422.0 InChI Key: QYTWSUBGAJZYQS-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)C.

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