Compound C16H28ClNS

3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride

CAS: 70700-62-8

Molecular Formula	`C16H28ClNS`
Molecular Weight	301.9 g/mol
Topological Polar Surface Area	29.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	9
Exact Mass	301.1631
Heavy Atoms	19
Complexity	186.0

Chemical Identifiers

CAS Number	70700-62-8
SMILES	`CCCCCCCCSC[N+]1=CC(=CC(=C1)C)C.[Cl-]`
InChIKey	`SZIHXKBVPMHTDX-UHFFFAOYSA-M`

📖 Product Overview

Compound C16H28ClNS (CAS: 70700-62-8) is a chemical compound with molecular formula C16H28ClNS and molecular weight 301.9 g/mol. Its IUPAC systematic name is 3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride. Topological Polar Surface Area 29.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 9 Exact Mass 301.1631 Heavy Atoms 19 Complexity 186.0 InChI Key: SZIHXKBVPMHTDX-UHFFFAOYSA-M. SMILES: CCCCCCCCSC[N+]1=CC(=CC(=C1)C)C.[Cl-].

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