5-[(3,5-difluorophenyl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3,5-difluorophenyl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
5-[(3,5-difluorophenyl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-1420 |
| Compound Name: | 5-[(3,5-difluorophenyl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 241.26 |
| Molecular Formula: | C10 H9 F2 N3 S |
| Smiles: | Cn1c(Cc2cc(cc(c2)F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.7262 |
| logD: | 1.3018 |
| logSw: | -1.6344 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.7722 |
| InChI Key: | JEARYKOXQVHJLS-UHFFFAOYSA-N |