6-Phenyl-2-sulfanylpyridine-3-carbonitrile
TL;DR: 6-Phenyl-2-sulfanylpyridine-3-carbonitrile (CAS 5307-59-5) is a chemical compound with molecular formula C12H8N2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-phenyl-2-sulfanylpyridine-3-carbonitrile, 6-phenyl-2-sulfanylnicotinonitrile, 2-mercapto-6-phenylnicotinonitrile, 6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile, XJUANYPYIQLJEC-UHFFFAOYSA-
| Molecular Formula | C12H8N2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.04082 |
| Heavy Atoms | 15 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 5307-59-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C(=S)N2)C#N |
| InChIKey | XJUANYPYIQLJEC-UHFFFAOYSA-N |
Product Overview
6-Phenyl-2-sulfanylpyridine-3-carbonitrile (CAS 5307-59-5), with molecular formula C12H8N2S and molecular weight 212.04 g/mol. IUPAC: 6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile
Property Insights of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenyl-2-sulfanylpyridine-3-carbonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Phenyl-2-sulfanylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-Phenyl-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 6-Phenyl-2-sulfanylpyridine-3-carbonitrile?
The CAS number of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile is 5307-59-5.
What is the molecular formula of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile?
The molecular formula of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile is C12H8N2S.
What is the molecular weight of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile?
The molecular weight of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile is 212.04 g/mol.
Where can I buy 6-Phenyl-2-sulfanylpyridine-3-carbonitrile?
You can request a quote for 6-Phenyl-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 6-Phenyl-2-sulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenyl-2-sulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.