![2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile structure](/static/products/327/327166-77-8.png)
2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile (CAS 327166-77-8) is a chemical compound with molecular formula C14H12N4S2 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(4-methylsulfanylphenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: A0369/0017020, 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-methylthiophenyl)-4H-thiin-3,5-dicarbonitrile, 2,6-diamino-4-(4-(methylthio)phenyl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-methylsulfanylphenyl)-4H-thiopyran-3,5-dicarbonitrile
| Molecular Formula | C14H12N4S2 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.62666 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.05035 |
| Heavy Atoms | 20 |
| Complexity | 638.61084 |
Chemical Identifiers
| CAS Number | 327166-77-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N |
Product Overview
2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile (CAS 327166-77-8), with molecular formula C14H12N4S2 and molecular weight 300.05 g/mol. IUPAC: 2,6-diamino-4-(4-methylsulfanylphenyl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 2.62666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 99.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-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
Frequently Asked Questions
What is the CAS number of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile is 327166-77-8.
What is the molecular formula of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile is C14H12N4S2.
What is the molecular weight of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile is 300.05 g/mol.
Where can I buy 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-[4-(methylsulfanyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.