2-nitro-4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenol
Chemical Structure Depiction of
2-nitro-4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenol
2-nitro-4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenol
Compound characteristics
| Compound ID: | 3630-0404 |
| Compound Name: | 2-nitro-4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenol |
| Molecular Weight: | 252.25 |
| Molecular Formula: | C9 H8 N4 O3 S |
| Smiles: | C(c1ccc(c(c1)[N+]([O-])=O)O)Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.1328 |
| logD: | 0.6926 |
| logSw: | -2.2176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.021 |
| InChI Key: | CXXAUUSUQKWGLH-UHFFFAOYSA-N |