4-Anilino-2-methylsulfanylpyridine-3-carbonitrile
TL;DR: 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile (CAS 147992-95-8) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-2-methylsulfanylpyridine-3-carbonitrile
Also Known As: 4-anilino-2-(methylthio)nicotinonitrile, 4-anilino-2-methylsulfanylpyridine-3-carbonitrile, 4-anilino-2-(methylsulfanyl)nicotinonitrile, 2-(methylthio)-4-(phenylamino)nicotinonitrile, 2-(Methylthio)-4-anilinopyridine-3-carbonitrile
| Molecular Formula | C13H11N3S |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.06737 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 147992-95-8 |
|---|---|
| SMILES | CSC1=NC=CC(=C1C#N)NC2=CC=CC=C2 |
| InChIKey | HUYFPEVZNOMRGY-UHFFFAOYSA-N |
Product Overview
4-Anilino-2-methylsulfanylpyridine-3-carbonitrile (CAS 147992-95-8), with molecular formula C13H11N3S and molecular weight 241.07 g/mol. IUPAC: 4-anilino-2-methylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile
Property Insights of 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile
The XLogP value of 3.5 indicates that 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile?
The CAS number of 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile is 147992-95-8.
What is the molecular formula of 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile?
The molecular formula of 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile is C13H11N3S.
What is the molecular weight of 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile?
The molecular weight of 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile is 241.07 g/mol.
Where can I buy 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile?
You can request a quote for 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-2-methylsulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.