2-(benzylsulfanyl)-4,6-dinitrobenzonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4,6-dinitrobenzonitrile
2-(benzylsulfanyl)-4,6-dinitrobenzonitrile
Compound characteristics
| Compound ID: | 8009-7203 |
| Compound Name: | 2-(benzylsulfanyl)-4,6-dinitrobenzonitrile |
| Molecular Weight: | 315.3 |
| Molecular Formula: | C14 H9 N3 O4 S |
| Smiles: | C(c1ccccc1)Sc1cc(cc(c1C#N)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2348 |
| logD: | 3.2348 |
| logSw: | -3.6156 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.485 |
| InChI Key: | OOLZGMMNMGGUNG-UHFFFAOYSA-N |