3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Chemical Structure Depiction of
3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Compound characteristics
| Compound ID: | Y508-9921 |
| Compound Name: | 3-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol |
| Molecular Weight: | 270.26 |
| Molecular Formula: | C10 H8 F2 N4 O S |
| Smiles: | C(\c1cccc(c1)O)=N/n1c(C(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.0229 |
| logD: | 0.2771 |
| logSw: | -0.3052 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.967 |
| InChI Key: | VRBLBWYSBVDVBX-UHFFFAOYSA-N |