2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile (CAS 125219-62-7) is a chemical compound with molecular formula C12H9N5S and molecular weight 255.05786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-diamino-4-pyridin-4-yl-4H-thiopyran-3,5-dicarbonitrile
Also Known As: TimTec1_000509, BAS 06899626, AE-848/32959026, 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile, 2,6-Diamino-4-pyridin-4-yl-4H-thiopyran-3,5-dicarbonitrile
Technical Specifications
| Molecular Formula | C12H9N5S |
| Molecular Weight | 255.05786 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.05786 Da |
| Heavy Atoms | 18 |
| Complexity | 471.0 |
| SMILES | C1=CN=CC=C1C2C(=C(SC(=C2C#N)N)N)C#N |
| InChIKey | SDDJYGNIRSAJLJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile is 125219-62-7.
What is the molecular formula of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile is C12H9N5S.
What is the molecular weight of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile is 255.05786 g/mol.
Where can I buy 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,6-diamino-4-(4-pyridyl)-4H-thiin-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.