2,6-diamino-4-(2-methylphenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(2-methylphenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(2-methylphenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8002-7061 |
| Compound Name: | 2,6-diamino-4-(2-methylphenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 268.34 |
| Molecular Formula: | C14 H12 N4 S |
| Smiles: | Cc1ccccc1C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 2.0908 |
| logD: | 2.0908 |
| logSw: | -1.9366 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 74.422 |
| InChI Key: | IOFODHFIISYXLF-UHFFFAOYSA-N |