5-(difluoromethyl)-4-{[(3-methylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(difluoromethyl)-4-{[(3-methylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
5-(difluoromethyl)-4-{[(3-methylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9851 |
| Compound Name: | 5-(difluoromethyl)-4-{[(3-methylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 274.31 |
| Molecular Formula: | C9 H8 F2 N4 S2 |
| Smiles: | Cc1ccsc1/C=N/n1c(C(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.8542 |
| logD: | 1.3615 |
| logSw: | -1.8159 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.368 |
| InChI Key: | JGKSXSGRPSWKBC-UHFFFAOYSA-N |