4-{[(3,4-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(3,4-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
4-{[(3,4-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6128-0081 |
| Compound Name: | 4-{[(3,4-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C11 H12 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2cnnc2S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.719 |
| logD: | 0.6704 |
| logSw: | -1.6591 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.648 |
| InChI Key: | AOQOZADPRUZVKW-UHFFFAOYSA-N |