2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile
TL;DR: 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile (CAS 129048-41-5) is a chemical compound with molecular formula C8H6N4S2 and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-methylsulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Also Known As: Maybridge1_006315, 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile, 2-amino-4-methylsulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile, 6-amino-4-(methylsulfanyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile, 6-amino-4-(methylthio)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
| Molecular Formula | C8H6N4S2 |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00339 |
| Heavy Atoms | 14 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 129048-41-5 |
|---|---|
| SMILES | CSC1=C(C(=S)NC(=C1C#N)N)C#N |
| InChIKey | MTXHTSWJCCMDRH-UHFFFAOYSA-N |
Product Overview
2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile (CAS 129048-41-5), with molecular formula C8H6N4S2 and molecular weight 222.00 g/mol. IUPAC: 2-amino-4-methylsulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile
Property Insights of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-6-mercapto-4-(methylthio)pyridine-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
Frequently Asked Questions
What is the CAS number of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile?
The CAS number of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile is 129048-41-5.
What is the molecular formula of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile?
The molecular formula of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile is C8H6N4S2.
What is the molecular weight of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile?
The molecular weight of 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile is 222.00 g/mol.
Where can I buy 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile?
You can request a quote for 2-Amino-6-mercapto-4-(methylthio)pyridine-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-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.