4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3939 |
| Compound Name: | 4-cyclopropyl-5-[4-(difluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 283.3 |
| Molecular Formula: | C12 H11 F2 N3 O S |
| Smiles: | C1CC1n1c(c2ccc(cc2)OC(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.574 |
| logD: | 2.4133 |
| logSw: | -2.6587 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2268 |
| InChI Key: | JDTMJJBLJGVXBF-UHFFFAOYSA-N |