4,6-Diamino-2-mercaptonicotinonitrile
TL;DR: 4,6-Diamino-2-mercaptonicotinonitrile (CAS 105774-81-0) is a chemical compound with molecular formula C6H6N4S and molecular weight 166.03131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-diamino-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 4,6-diamino-2-mercaptonicotinonitrile, 4,6-diamino-2-sulfanylpyridine-3-carbonitrile, 3-cyano-4,6-diamino-2-pyridothione, 4,6-diamino-2-sulfanylidene-1H-pyridine-3-carbonitrile, J1.170.169H
Technical Specifications
| Molecular Formula | C6H6N4S |
| Molecular Weight | 166.03131 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.03131 Da |
| Heavy Atoms | 11 |
| Complexity | 317.0 |
| SMILES | C1=C(NC(=S)C(=C1N)C#N)N |
| InChIKey | IHOGZCFZHKXKGV-UHFFFAOYSA-N |
Chemical Property Profile of 4,6-Diamino-2-mercaptonicotinonitrile
Property Insights of 4,6-Diamino-2-mercaptonicotinonitrile
The XLogP value of -0.1 indicates that 4,6-Diamino-2-mercaptonicotinonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Diamino-2-mercaptonicotinonitrile. Following Lipinski's Rule of Five, 4,6-Diamino-2-mercaptonicotinonitrile has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,6-Diamino-2-mercaptonicotinonitrile?
The CAS number of 4,6-Diamino-2-mercaptonicotinonitrile is 105774-81-0.
What is the molecular formula of 4,6-Diamino-2-mercaptonicotinonitrile?
The molecular formula of 4,6-Diamino-2-mercaptonicotinonitrile is C6H6N4S.
What is the molecular weight of 4,6-Diamino-2-mercaptonicotinonitrile?
The molecular weight of 4,6-Diamino-2-mercaptonicotinonitrile is 166.03131 g/mol.
Where can I buy 4,6-Diamino-2-mercaptonicotinonitrile?
You can request a quote for 4,6-Diamino-2-mercaptonicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6-Diamino-2-mercaptonicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 4,6-Diamino-2-mercaptonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.