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

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

CAS No:
73622-67-0
Formula:
C12H16BrNO3S2
Chemical Name:
S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methylpyridin-1-ium-3-yl]methyl] ethanethioate;bromide
Synonyms:
73622-67-0;4,5-Dimercaptopyridoxindithioacetat hydrobromid [German];3,4-Di(acetylthiomethyl)-5-hydroxy-6-methylpyridine hydrobromide;4,5-Di(mercaptomethyl)-2-methyl-3-pyridinol dithioacetate hydrobromide;4,5-Dimercaptopyridoxindithioacetat hydrobromid;Acetic acid, thio-, diester with 5-hydroxy-6-methyl-3,4-pyridinedimethanethiol, hydrobromide

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

Molecular Weight：

366.3 g/mol

Exact Mass：

364.97550 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:366.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:364.97550
Monoisotopic Mass:364.97550
Topological Polar Surface Area:119
Heavy Atom Count:19
Complexity:312
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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