2-Sulfanylpyridine-3-carbonitrile
TL;DR: 2-Sulfanylpyridine-3-carbonitrile (CAS 52505-45-0) is a chemical compound with molecular formula C6H4N2S and molecular weight 136.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 2-Mercaptonicotinonitrile, 2-sulfanylnicotinonitrile, 2-sulfanylpyridine-3-carbonitrile, 2-sulfanylidene-1H-pyridine-3-carbonitrile, 2-mercaptonicotine nitrile
| Molecular Formula | C6H4N2S |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | 1.61587 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.00952 |
| Heavy Atoms | 9 |
| Complexity | 294.41644 |
Chemical Identifiers
| CAS Number | 52505-45-0 |
|---|---|
| SMILES | C1=CNC(=S)C(=C1)C#N |
Product Overview
2-Sulfanylpyridine-3-carbonitrile (CAS 52505-45-0), with molecular formula C6H4N2S and molecular weight 136.01 g/mol. IUPAC: 2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Sulfanylpyridine-3-carbonitrile
Property Insights of 2-Sulfanylpyridine-3-carbonitrile
The XLogP value of 1.61587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Sulfanylpyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 2-Sulfanylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Sulfanylpyridine-3-carbonitrile 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-Sulfanylpyridine-3-carbonitrile?
The CAS number of 2-Sulfanylpyridine-3-carbonitrile is 52505-45-0.
What is the molecular formula of 2-Sulfanylpyridine-3-carbonitrile?
The molecular formula of 2-Sulfanylpyridine-3-carbonitrile is C6H4N2S.
What is the molecular weight of 2-Sulfanylpyridine-3-carbonitrile?
The molecular weight of 2-Sulfanylpyridine-3-carbonitrile is 136.01 g/mol.
Where can I buy 2-Sulfanylpyridine-3-carbonitrile?
You can request a quote for 2-Sulfanylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Sulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Sulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.