N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Chemical Structure Depiction of
N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Compound characteristics
| Compound ID: | K060-0029 |
| Compound Name: | N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine |
| Molecular Weight: | 263.27 |
| Molecular Formula: | C10 H9 N5 O2 S |
| Smiles: | CSc1nncn1/N=C/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4684 |
| logD: | 1.4677 |
| logSw: | -2.1416 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.296 |
| InChI Key: | MPJZHQCBGIHRMN-UHFFFAOYSA-N |