4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8734 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 248.26 |
| Molecular Formula: | C10 H8 N4 O2 S |
| Smiles: | C1Oc2ccc(/C=N/n3cnnc3S)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.0172 |
| logD: | 0.9686 |
| logSw: | -1.8415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.503 |
| InChI Key: | NOYAZDZULKWWKW-UHFFFAOYSA-N |