Molecule: thiamine(1+)
A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.
Synonyms for thiamine(1+) :
3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM
Aneurin
Antiberiberi factor
Thiamin
Thiamine
Vitamin B1
thiamine
thiamine cation
thiamine ion
thiamine(1+) ion
thiaminium
vitamin B1
Molecular Formula: C12H17N4OS
Molecular wt: 265.350 g/mole
Charge: +1
SMILES: CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey: JZRWCGZRTZMZEH-UHFFFAOYSA-N
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
Sample reactions for this molecule: