4-nitro-5-[(pyridin-2-yl)sulfanyl]benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-nitro-5-[(pyridin-2-yl)sulfanyl]benzene-1,2-dicarbonitrile
4-nitro-5-[(pyridin-2-yl)sulfanyl]benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-4869 |
| Compound Name: | 4-nitro-5-[(pyridin-2-yl)sulfanyl]benzene-1,2-dicarbonitrile |
| Molecular Weight: | 282.28 |
| Molecular Formula: | C13 H6 N4 O2 S |
| Smiles: | C(c1cc(c(cc1C#N)Sc1ccccn1)[N+]([O-])=O)#N |
| Stereo: | ACHIRAL |
| logP: | 2.8573 |
| logD: | 2.8573 |
| logSw: | -3.5857 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.569 |
| InChI Key: | DCQKOJCGMKFVRM-UHFFFAOYSA-N |