1-{5-[(2-carbamothioylhydrazinylidene)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl}-3,5-dimethylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-{5-[(2-carbamothioylhydrazinylidene)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl}-3,5-dimethylpyridin-1-ium--iodide (1/1)
1-{5-[(2-carbamothioylhydrazinylidene)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl}-3,5-dimethylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5577-0033 |
| Compound Name: | 1-{5-[(2-carbamothioylhydrazinylidene)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl}-3,5-dimethylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 449.33 |
| Molecular Formula: | C13 H16 N5 O S2 |
| Salt: | I- |
| Smiles: | Cc1cc(C)c[n+](c1)C1=C(/C=N/NC(N)=S)SC(N1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1942 |
| logD: | 3.1942 |
| logSw: | -3.2127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.669 |
| InChI Key: | KWOHSMLQBXSYDR-PJQLUOCWSA-O |