5-(4-methylphenyl)-4-{[(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-methylphenyl)-4-{[(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
5-(4-methylphenyl)-4-{[(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-2519 |
| Compound Name: | 5-(4-methylphenyl)-4-{[(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C16 H13 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1/N=C/c1ccccc1[N+]([O-])=O)S |
| Stereo: | ACHIRAL |
| logP: | 3.5494 |
| logD: | 2.5486 |
| logSw: | -3.6383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.159 |
| InChI Key: | GTXLFGIBVIAIFZ-UHFFFAOYSA-N |