4-butyl-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-butyl-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
4-butyl-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8175 |
| Compound Name: | 4-butyl-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 349.35 |
| Molecular Formula: | C14 H15 F4 N3 O S |
| Smiles: | CCCCn1c(c2cccc(c2)OC(C(F)F)(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.0506 |
| logD: | 3.7063 |
| logSw: | -3.9693 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9863 |
| InChI Key: | OCYJPLUVWFEUNM-UHFFFAOYSA-N |