Hydroxythiamine
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
| Molecular Formula | C12H16ClN3O2S |
|---|---|
| Molecular Weight | 301.79 g/mol |
| Topological Polar Surface Area | 93.8 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0652 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 582-36-5 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-] |
| InChIKey | RNUAEUWXRHCGKX-UHFFFAOYSA-N |
📖 Product Overview
Hydroxythiamine (CAS: 582-36-5) is a chemical compound with molecular formula C12H16ClN3O2S and molecular weight 301.79 g/mol. Its IUPAC systematic name is 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride.
RNUAEUWXRHCGKX-UHFFFAOYSA-N.
SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-].
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