THIAMINE HYDROCHLORIDE
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
| Molecular Formula | C12H18Cl2N4OS |
|---|---|
| Molecular Weight | 337.3 g/mol |
| Topological Polar Surface Area | 104.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.05783 |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 67-03-8 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-] |
| InChIKey | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
📖 Product Overview
THIAMINE HYDROCHLORIDE (CAS: 67-03-8) is a chemical compound with molecular formula C12H18Cl2N4OS and molecular weight 337.3 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;chloride;hydrochloride.
DPJRMOMPQZCRJU-UHFFFAOYSA-M.
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-].
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