5-(2,4-dichlorophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2,4-dichlorophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(2,4-dichlorophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0071 |
| Compound Name: | 5-(2,4-dichlorophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 300.21 |
| Molecular Formula: | C12 H11 Cl2 N3 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2[Cl])[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.1005 |
| logD: | 3.4701 |
| logSw: | -4.5703 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.9859 |
| InChI Key: | LLUHQFWZRQUSJD-UHFFFAOYSA-N |