Thiamine

Molecular Weight (g/mol)

265.36

Molecular Formula

C12H17N4OS+

InChI

InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1

InChIKey

JZRWCGZRTZMZEH-UHFFFAOYSA-N

SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO

IUPAC Name

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

Exact Mass (Da)

265.11230735

Monoisotopic Mass (Da)

265.11230735