4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-N-phenylpropanehydrazonothioate
Chemical Structure Depiction of
4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-N-phenylpropanehydrazonothioate
4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-N-phenylpropanehydrazonothioate
Compound characteristics
| Compound ID: | 8011-7523 |
| Compound Name: | 4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-N-phenylpropanehydrazonothioate |
| Molecular Weight: | 275.33 |
| Molecular Formula: | C12 H13 N5 O S |
| Smiles: | CC(\C(=N/Nc1ccccc1)Sc1nncn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3965 |
| logD: | 1.3965 |
| logSw: | -2.0943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.98 |
| InChI Key: | QWZLBWBLHSWXSP-UHFFFAOYSA-N |