4-(4-butylphenyl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(4-butylphenyl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(4-butylphenyl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5236-0119 |
| Compound Name: | 4-(4-butylphenyl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 315.46 |
| Molecular Formula: | C16 H17 N3 S2 |
| Smiles: | CCCCc1ccc(cc1)N1C(c2cccs2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3451 |
| logD: | 4.5607 |
| logSw: | -5.3706 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.9917 |
| InChI Key: | XMBZXGPMOUAFRN-UHFFFAOYSA-N |