4-(3,5-dimethylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate
Chemical Structure Depiction of
4-(3,5-dimethylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate
4-(3,5-dimethylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate
Compound characteristics
| Compound ID: | 1114-0170 |
| Compound Name: | 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate |
| Molecular Weight: | 234.27 |
| Molecular Formula: | C11 H10 N2 O2 S |
| Smiles: | Cc1cc(C)c[n+](c1)c1c(C=O)sc(n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 2.3821 |
| logD: | 2.3821 |
| logSw: | -1.8671 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.754 |
| InChI Key: | PHNYTDCHBSJPDS-UHFFFAOYSA-N |