3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride

CAS: 70700-59-3

Molecular Formula	`C15H26ClNS`
Molecular Weight	287.9 g/mol
Topological Polar Surface Area	29.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	9
Exact Mass	287.14746
Heavy Atoms	18
Complexity	172.0

Chemical Identifiers

CAS Number	70700-59-3
SMILES	`CCCCCCCCSC[N+]1=CC=CC(=C1)C.[Cl-]`
InChIKey	`QNPROAXXFFAWTA-UHFFFAOYSA-M`

📖 Product Overview

3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride (CAS: 70700-59-3) is a chemical compound with molecular formula C15H26ClNS and molecular weight 287.9 g/mol. Its IUPAC systematic name is 3-methyl-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 287.14746 Heavy Atoms 18 Complexity 172.0 InChI Key: QNPROAXXFFAWTA-UHFFFAOYSA-M. SMILES: CCCCCCCCSC[N+]1=CC=CC(=C1)C.[Cl-].

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