Thiothiamine
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
| Molecular Formula | C12H16N4OS2 |
|---|---|
| Molecular Weight | 296.4 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 133.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.07657 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 299-35-4 |
|---|---|
| SMILES | CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO |
| InChIKey | SQOCQQPFEFRKBV-UHFFFAOYSA-N |
📖 Product Overview
Thiothiamine (CAS: 299-35-4) is a chemical compound with molecular formula C12H16N4OS2 and molecular weight 296.4 g/mol. Its IUPAC systematic name is 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione.
SQOCQQPFEFRKBV-UHFFFAOYSA-N.
SMILES: CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO.
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