1-{5-[(2-carbamothioylhydrazinylidene)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl}pyridin-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}pyridin-1-ium--iodide (1/1)
1-{5-[(2-carbamothioylhydrazinylidene)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl}pyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5577-0032 |
| Compound Name: | 1-{5-[(2-carbamothioylhydrazinylidene)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl}pyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 421.28 |
| Molecular Formula: | C11 H12 N5 O S2 |
| Salt: | I- |
| Smiles: | CN1C(=C(/C=N/NC(N)=S)SC1=O)[n+]1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8505 |
| logD: | 1.8504 |
| logSw: | -2.3469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.883 |
| InChI Key: | PZJCXCXWDKZBGV-NTUHNPAUSA-O |