5-formyl-4-(4-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Chemical Structure Depiction of
5-formyl-4-(4-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
5-formyl-4-(4-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate
Compound characteristics
| Compound ID: | 1114-0166 |
| Compound Name: | 5-formyl-4-(4-methylpyridin-1-ium-1-yl)-1,3-thiazol-2-olate |
| Molecular Weight: | 220.25 |
| Molecular Formula: | C10 H8 N2 O2 S |
| Smiles: | Cc1cc[n+](cc1)c1c(C=O)sc(n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 1.4239 |
| logD: | 1.4239 |
| logSw: | -1.7279 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.968 |
| InChI Key: | LOHWHSHMOQCHAG-UHFFFAOYSA-N |