thiamine

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol

CAS: 59-43-8

Molecular Formula	`C12H17N4OS+`
Molecular Weight	265.36 g/mol
LogP	1.0
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	265.1123
Heavy Atoms	18
Complexity	268.0

Chemical Identifiers

CAS Number	59-43-8
SMILES	`CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO`
InChIKey	`JZRWCGZRTZMZEH-UHFFFAOYSA-N`

📖 Product Overview

thiamine (CAS: 59-43-8) is a chemical compound with molecular formula C12H17N4OS+ and molecular weight 265.36 g/mol. Its IUPAC systematic name is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol. LogP 1.0 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 265.1123 Heavy Atoms 18 Complexity 268.0 InChI Key: JZRWCGZRTZMZEH-UHFFFAOYSA-N. SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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