4-(3-chloro-4-fluorophenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(3-chloro-4-fluorophenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-3092 |
| Compound Name: | 4-(3-chloro-4-fluorophenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 325.81 |
| Molecular Formula: | C13 H9 Cl F N3 S2 |
| Smiles: | C(c1nnc(n1c1ccc(c(c1)[Cl])F)S)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 3.1186 |
| logD: | 1.8593 |
| logSw: | -3.3738 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.4523 |
| InChI Key: | BVHTUFKEXKLBFF-UHFFFAOYSA-N |