5-(4-nitrophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-nitrophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-(4-nitrophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-7330 |
| Compound Name: | 5-(4-nitrophenyl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | C1CC(Cn2c(c3ccc(cc3)[N+]([O-])=O)nnc2S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0285 |
| logD: | 1.6841 |
| logSw: | -2.2672 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.75 |
| InChI Key: | AFAZLLLNNKTJFF-LLVKDONJSA-N |