O-Benzoylthiamine
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride
Also Known As: O-Benzoylthiamine|BENZOYLTHIAMINE, O-|Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-(benzoyloxy)ethyl)-4-methyl-, chloride|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride|5-[2-(Benzoyloxy)ethyl]-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride|Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-(benzoyloxy)ethyl]-4-methyl-, chloride|Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-(benzoyloxy)ethyl]-4-methyl-, chloride (1:1)
| Molecular Formula | C19H21ClN4O2S |
|---|---|
| Molecular Weight | 404.10736 g/mol |
| LogP | -0.52356 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.10736 |
| Monoisotopic Mass | 404.10736 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 1948-58-9 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | SANDDEZKGWNINE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Benzoylthiamine (CAS 1948-58-9), with molecular formula C19H21ClN4O2S and molecular weight 404.10736 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate chloride.
O-Benzoylthiamine is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »