5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-4070 |
| Compound Name: | 5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 257.31 |
| Molecular Formula: | C13 H11 N3 O S |
| Smiles: | Cc1c(cco1)c1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 2.3743 |
| logD: | 1.1532 |
| logSw: | -2.7195 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.691 |
| InChI Key: | UGMHSMHHRNSVFZ-UHFFFAOYSA-N |