4-(4-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
4-(4-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-6919 |
| Compound Name: | 4-(4-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 253.75 |
| Molecular Formula: | C11 H12 Cl N3 S |
| Smiles: | CC(C)c1nnc(n1c1ccc(cc1)[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 3.0714 |
| logD: | 1.8121 |
| logSw: | -3.2555 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.7292 |
| InChI Key: | ZVYYKEHYQQVLIU-UHFFFAOYSA-N |