N-phenacyl-4,5-dimethylthiazolium bromide
2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone bromide
Also Known As: Alagebrium bromide|DMPTB cpd|Alagebrium (bromide)|ALT 711|ALT-711|n-phenacyl-4,5-dimethylthiazolium bromide|181069-80-7 (bromide)|Thiazolium, 4,5-dimethyl-3-(2-oxo-2-phenylethyl)-, bromide|HY-106024A|4,5-dimethyl-3-(2-oxo-2-phenylethyl)thiazolium bromide|Thiazolium, 4,5-dimethyl-3-(2-oxo-2-phenylethyl)- bromide|2-Pyrimidinamine, N-(4-nitrophenyl)-4-(3-pyridinyl)-|2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone bromide|2-(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone;bromide|4,5-DIMETHYL-3-(2-OXO-2-PHENYLETHYL)-1,3-THIAZOL-3-IUM BROMIDE
| Molecular Formula | C13H14BrNOS |
|---|---|
| Molecular Weight | 310.99796 g/mol |
| LogP | -0.46066 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.99796 |
| Monoisotopic Mass | 310.99796 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 6090-50-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)C.[Br-] |
| InChIKey | NWYBJPXXICNVLX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenacyl-4,5-dimethylthiazolium bromide (CAS 6090-50-2), with molecular formula C13H14BrNOS and molecular weight 310.99796 g/mol. IUPAC: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone bromide.