5-(4-chlorophenyl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-chlorophenyl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-chlorophenyl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | Y510-4604 |
| Compound Name: | 5-(4-chlorophenyl)-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 253.75 |
| Molecular Formula: | C11 H12 Cl N3 S |
| Smiles: | CC(C)N1C(c2ccc(cc2)[Cl])=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.6699 |
| logD: | 3.4871 |
| logSw: | -4.2778 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.577 |
| InChI Key: | NECPLKTZAUXDAM-UHFFFAOYSA-N |