Thiamine monophosphate salt

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

Also Known As: Thiamine monophosphate salt|EINECS 209-485-5|Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, phosphate (1:1)|3-((4-Ammonio-2-methyl-5-pyrimidinio)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium phosphate|Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, phosphate (1:1) (salt)|Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, phosphate (1:1) (salt)|3-[(4-Ammonio-2-methyl-5-pyrimidinio)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium phosphate|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; dihydrogen phosphate|3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dihydrogen phosphate|Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, phosphate (1:1)

Molecular Formula	C12H19N4O5PS
Molecular Weight	362.0814 g/mol
LogP	-0.95286
Topological Polar Surface Area	156.5 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	362.0814
Monoisotopic Mass	362.0814
Heavy Atoms	23
Complexity	694.49

Chemical Identifiers

CAS Number	582-38-7
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.OP(=O)(O)[O-]