4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8604 |
| Compound Name: | 4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 306.69 |
| Molecular Formula: | C10 H6 Cl F3 N4 S |
| Smiles: | C(\c1c(cccc1[Cl])F)=N/n1c(C(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.0381 |
| logD: | 1.2923 |
| logSw: | -2.4292 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.35 |
| InChI Key: | ILYYTVUGBNXYSH-UHFFFAOYSA-N |