4-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-3093 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 303.36 |
| Molecular Formula: | C13 H9 N3 O2 S2 |
| Smiles: | C1Oc2ccc(cc2O1)n1c(c2cccs2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.9619 |
| logD: | 2.0132 |
| logSw: | -3.2122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.591 |
| InChI Key: | KEZDDOLAZFVMGO-UHFFFAOYSA-N |