4-(2,4-dimethylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,4-dimethylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(2,4-dimethylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-0468 |
| Compound Name: | 4-(2,4-dimethylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 301.43 |
| Molecular Formula: | C15 H15 N3 S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c(Cc2cccs2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.6288 |
| logD: | 1.4216 |
| logSw: | -3.9138 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.1513 |
| InChI Key: | AFRSFEXFOGGVHN-UHFFFAOYSA-N |