benzothiazolium, 3-methyl-2-(methylthio)-

3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium

CAS: 46045-65-2

Molecular Formula	`C9H10NS2+`
Molecular Weight	196.3 g/mol
LogP	3.4
Topological Polar Surface Area	57.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	196.02547
Heavy Atoms	12
Complexity	163.0

Chemical Identifiers

CAS Number	46045-65-2
SMILES	`C[N+]1=C(SC2=CC=CC=C21)SC`
InChIKey	`IKGZOUOHCCARCC-UHFFFAOYSA-N`

📖 Product Overview

benzothiazolium, 3-methyl-2-(methylthio)- (CAS: 46045-65-2) is a chemical compound with molecular formula C9H10NS2+ and molecular weight 196.3 g/mol. Its IUPAC systematic name is 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium. LogP 3.4 Topological Polar Surface Area 57.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 196.02547 Heavy Atoms 12 Complexity 163.0 InChI Key: IKGZOUOHCCARCC-UHFFFAOYSA-N. SMILES: C[N+]1=C(SC2=CC=CC=C21)SC.

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