2-Mercapto-4,6-dimethylnicotinonitrile
TL;DR: 2-Mercapto-4,6-dimethylnicotinonitrile (CAS 54585-47-6) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 2-Mercapto-4,6-dimethylnicotinonitrile, Cipamfylline, 4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 3-CYANO-4,6-DIMETHYL-2-MERCAPTOPYRIDINE, 4,6-dimethyl-2-sulfanylpyridine-3-carbonitrile
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 54585-47-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=S)N1)C#N)C |
| InChIKey | CZRHEROEPICLRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-4,6-dimethylnicotinonitrile (CAS 54585-47-6), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Mercapto-4,6-dimethylnicotinonitrile
Property Insights of 2-Mercapto-4,6-dimethylnicotinonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-4,6-dimethylnicotinonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-Mercapto-4,6-dimethylnicotinonitrile has 1 hydrogen bond donor(s) and 2 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-Mercapto-4,6-dimethylnicotinonitrile?
The CAS number of 2-Mercapto-4,6-dimethylnicotinonitrile is 54585-47-6.
What is the molecular formula of 2-Mercapto-4,6-dimethylnicotinonitrile?
The molecular formula of 2-Mercapto-4,6-dimethylnicotinonitrile is C8H8N2S.
What is the molecular weight of 2-Mercapto-4,6-dimethylnicotinonitrile?
The molecular weight of 2-Mercapto-4,6-dimethylnicotinonitrile is 164.04 g/mol.
Where can I buy 2-Mercapto-4,6-dimethylnicotinonitrile?
You can request a quote for 2-Mercapto-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.