5-[(2-carbamothioylhydrazinylidene)methyl]-4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
Chemical Structure Depiction of
5-[(2-carbamothioylhydrazinylidene)methyl]-4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
5-[(2-carbamothioylhydrazinylidene)methyl]-4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide
Compound characteristics
| Compound ID: | 0865-0080 |
| Compound Name: | 5-[(2-carbamothioylhydrazinylidene)methyl]-4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-2H-1,3-thiazol-3-ide |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C12 H13 N5 O S2 |
| Smiles: | CCc1ccc[n+](c1)C1=C(/C=N/NC(N)=S)SC([N-]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4988 |
| logD: | 2.4988 |
| logSw: | -2.6229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.15 |
| InChI Key: | RRRTUEKLXRJXPD-UHFFFAOYSA-N |