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 |