4-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
4-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-3391 |
| Compound Name: | 4-(3-chloro-4-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 311.78 |
| Molecular Formula: | C12 H7 Cl F N3 S2 |
| Smiles: | c1cc(c2nnc(n2c2ccc(c(c2)[Cl])F)S)sc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6009 |
| logD: | 2.6522 |
| logSw: | -3.814 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.4761 |
| InChI Key: | BTZJPEOEWKWBNV-UHFFFAOYSA-N |