4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8012-9896 |
| Compound Name: | 4-amino-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 251.26 |
| Molecular Formula: | C9 H9 N5 O2 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)N1C(N(C=N1)N)=S |
| Stereo: | ACHIRAL |
| logP: | 0.5658 |
| logD: | 0.5658 |
| logSw: | -1.931 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.707 |
| InChI Key: | DCLUXEMUZYQZQE-UHFFFAOYSA-N |