3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | 5069-0051 |
| Compound Name: | 3-(benzylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 274.26 |
| Molecular Formula: | C10 H9 F3 N4 S |
| Smiles: | C(c1ccccc1)Sc1nnc(C(F)(F)F)n1N |
| Stereo: | ACHIRAL |
| logP: | 1.8588 |
| logD: | 1.8588 |
| logSw: | -1.7621 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.411 |
| InChI Key: | YGTGVXHLRHFUAH-UHFFFAOYSA-N |