4-(2,3-dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,3-dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
4-(2,3-dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5669 |
| Compound Name: | 4-(2,3-dimethylphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C18 H15 F4 N3 O S |
| Smiles: | Cc1cccc(c1C)n1c(c2cccc(c2)OC(C(F)F)(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.0023 |
| logD: | 2.5012 |
| logSw: | -4.7848 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1787 |
| InChI Key: | YOYIJBQSFBRJKN-UHFFFAOYSA-N |