4-({[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-({[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
4-({[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0030 |
| Compound Name: | 4-({[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 388.26 |
| Molecular Formula: | C12 H7 F7 N4 O S |
| Smiles: | C(\c1cccc(c1)OC(C(F)F)(F)F)=N/n1c(C(F)(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.9132 |
| logD: | 2.1674 |
| logSw: | -3.2146 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.372 |
| InChI Key: | PRTUXIZBQATHMR-UHFFFAOYSA-N |