4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-1503 |
| Compound Name: | 4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 250.28 |
| Molecular Formula: | C10 H10 N4 O2 S |
| Smiles: | CCn1c(c2cccc(c2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.6327 |
| logD: | 2.1198 |
| logSw: | -2.9171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.963 |
| InChI Key: | OPDJIMWSFJWMHI-UHFFFAOYSA-N |