5-[(2,4-dichlorophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(2,4-dichlorophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[(2,4-dichlorophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-5982 |
| Compound Name: | 5-[(2,4-dichlorophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 366.27 |
| Molecular Formula: | C16 H13 Cl2 N3 O S |
| Smiles: | Cc1ccccc1n1c(COc2ccc(cc2[Cl])[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.1011 |
| logD: | 1.8939 |
| logSw: | -4.265 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.719 |
| InChI Key: | KFRUUBYTSWPSKB-UHFFFAOYSA-N |