4-(2H-1,3-benzodioxol-5-yl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-6923 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C12 H13 N3 O2 S |
| Smiles: | CC(C)c1nnc(n1c1ccc2c(c1)OCO2)S |
| Stereo: | ACHIRAL |
| logP: | 2.4018 |
| logD: | 1.1426 |
| logSw: | -2.6627 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.845 |
| InChI Key: | OWTDNTIAVQUDRM-UHFFFAOYSA-N |