4,5-bis(2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4,5-bis(2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol
4,5-bis(2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-4109 |
| Compound Name: | 4,5-bis(2H-1,3-benzodioxol-5-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 341.34 |
| Molecular Formula: | C16 H11 N3 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(n1c1ccc2c(c1)OCO2)S |
| Stereo: | ACHIRAL |
| logP: | 3.1622 |
| logD: | 1.6196 |
| logSw: | -3.1674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.689 |
| InChI Key: | ARLDRGKIAIQBBC-UHFFFAOYSA-N |