4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-0469 |
| Compound Name: | 4-(4-butylphenyl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 329.48 |
| Molecular Formula: | C17 H19 N3 S2 |
| Smiles: | CCCCc1ccc(cc1)n1c(Cc2cccs2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.5237 |
| logD: | 3.2644 |
| logSw: | -4.3407 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.4523 |
| InChI Key: | HWJISTMCCXOCBO-UHFFFAOYSA-N |