5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-9030 |
| Compound Name: | 5-[(3,4-dichlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 352.24 |
| Molecular Formula: | C15 H11 Cl2 N3 O S |
| Smiles: | C(c1nnc(n1c1ccccc1)S)Oc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9471 |
| logD: | 2.6878 |
| logSw: | -4.2335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | ZHSPTKKOHKPZDI-UHFFFAOYSA-N |