2-Mercapto-3-cyano-6-methyl pyridine
TL;DR: 2-Mercapto-3-cyano-6-methyl pyridine (CAS 3395-04-8) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 2-mercapto-6-methylnicotinonitrile, 6-Methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 2-mercapto-3-cyano-6-methyl pyridine, 2-Mercapto-6-methyl-nicotinonitrile, 2-mercapto-3-cyano-6-methylpyridine
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 3395-04-8 |
|---|---|
| SMILES | CC1=CC=C(C(=S)N1)C#N |
| InChIKey | AYJDNDNJGGAULS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-3-cyano-6-methyl pyridine (CAS 3395-04-8), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: 6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Mercapto-3-cyano-6-methyl pyridine
Property Insights of 2-Mercapto-3-cyano-6-methyl pyridine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-3-cyano-6-methyl pyridine. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-3-cyano-6-methyl pyridine. Following Lipinski's Rule of Five, 2-Mercapto-3-cyano-6-methyl pyridine 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-3-cyano-6-methyl pyridine?
The CAS number of 2-Mercapto-3-cyano-6-methyl pyridine is 3395-04-8.
What is the molecular formula of 2-Mercapto-3-cyano-6-methyl pyridine?
The molecular formula of 2-Mercapto-3-cyano-6-methyl pyridine is C7H6N2S.
What is the molecular weight of 2-Mercapto-3-cyano-6-methyl pyridine?
The molecular weight of 2-Mercapto-3-cyano-6-methyl pyridine is 150.03 g/mol.
Where can I buy 2-Mercapto-3-cyano-6-methyl pyridine?
You can request a quote for 2-Mercapto-3-cyano-6-methyl pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-3-cyano-6-methyl pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-cyano-6-methyl pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.