Compound C12H16BrNO3S2

S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methylpyridin-1-ium-3-yl]methyl] ethanethioate bromide

CAS: 73622-67-0

Molecular Formula	`C12H16BrNO3S2`
Molecular Weight	366.3 g/mol
Topological Polar Surface Area	119.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	364.9755
Heavy Atoms	19
Complexity	312.0

Chemical Identifiers

CAS Number	73622-67-0
SMILES	`CC1=[NH+]C=C(C(=C1O)CSC(=O)C)CSC(=O)C.[Br-]`
InChIKey	`LWUHNCDCKMHSPS-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H16BrNO3S2 (CAS: 73622-67-0) is a chemical compound with molecular formula C12H16BrNO3S2 and molecular weight 366.3 g/mol. Its IUPAC systematic name is S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methylpyridin-1-ium-3-yl]methyl] ethanethioate bromide. Topological Polar Surface Area 119.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 364.9755 Heavy Atoms 19 Complexity 312.0 InChI Key: LWUHNCDCKMHSPS-UHFFFAOYSA-N. SMILES: CC1=[NH+]C=C(C(=C1O)CSC(=O)C)CSC(=O)C.[Br-].

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