5-[(2-carbamothioylhydrazinylidene)methyl]-4-(4-methylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
Chemical Structure Depiction of
5-[(2-carbamothioylhydrazinylidene)methyl]-4-(4-methylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
5-[(2-carbamothioylhydrazinylidene)methyl]-4-(4-methylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
Compound characteristics
| Compound ID: | 0865-0079 |
| Compound Name: | 5-[(2-carbamothioylhydrazinylidene)methyl]-4-(4-methylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide |
| Molecular Weight: | 293.37 |
| Molecular Formula: | C11 H11 N5 O S2 |
| Smiles: | Cc1cc[n+](cc1)C1=C(/C=N/NC(N)=S)SC([N-]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7196 |
| logD: | 1.7195 |
| logSw: | -2.3947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.257 |
| InChI Key: | OKRKOQCAVLTVJS-UHFFFAOYSA-N |