2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 127118-60-9) is a chemical compound with molecular formula C13H9ClN4S and molecular weight 288.02365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile, BAS 00874001, 2,6-diamino-3,5-bis(methylseleno)pyridine, 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(2-chlorophenyl)-, AB00075342-01
Technical Specifications
| Molecular Formula | C13H9ClN4S |
| Molecular Weight | 288.02365 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.02365 Da |
| Heavy Atoms | 19 |
| Complexity | 509.0 |
| SMILES | C1=CC=C(C(=C1)C2C(=C(SC(=C2C#N)N)N)C#N)Cl |
| InChIKey | GVCFZNJDHXYSRV-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 5 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-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile is 127118-60-9.
What is the molecular formula of 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile is C13H9ClN4S.
What is the molecular weight of 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile is 288.02365 g/mol.
Where can I buy 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-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-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,6-diamino-4-(2-chlorophenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.