2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 127118-59-6) is a chemical compound with molecular formula C14H12N4OS and molecular weight 284.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: 2,5-dicarbonitr ile, BAS 00918353, 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile, AB00075341-01, 2,6-diamino-4-(2-methoxyphenyl)-4H-thiin-3,5-dicarbonitrile
Technical Specifications
| Molecular Formula | C14H12N4OS |
| Molecular Weight | 284.07318 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.07318 Da |
| Heavy Atoms | 20 |
| Complexity | 524.0 |
| SMILES | COC1=CC=CC=C1C2C(=C(SC(=C2C#N)N)N)C#N |
| InChIKey | KTCJWBXMBLYHNZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-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-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 127118-59-6.
What is the molecular formula of 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is C14H12N4OS.
What is the molecular weight of 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 284.07318 g/mol.
Where can I buy 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(2-methoxyphenyl)-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-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.