2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 6773-0033 |
| Compound Name: | 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 300.4 |
| Molecular Formula: | C14 H12 N4 S2 |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 2.2105 |
| logD: | 2.2105 |
| logSw: | -2.2357 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 74.422 |
| InChI Key: | RDUYEMOXBWQWJR-UHFFFAOYSA-N |