2-(Methylthio)-3-quinolinecarbonitrile
TL;DR: 2-(Methylthio)-3-quinolinecarbonitrile (CAS 101619-10-7) is a chemical compound with molecular formula C11H8N2S and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylquinoline-3-carbonitrile
Also Known As: 3-cyano-2-methylthioquinoline, 2-(Methylthio)-3-quinolinecarbonitrile, 3-Quinolinecarbonitrile, 2-(methylthio)-, 2-methylsulfanylquinoline-3-carbonitrile, 2-Methylsulfanyl-quinoline-3-carbonitrile
| Molecular Formula | C11H8N2S |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 2.82838 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.04082 |
| Heavy Atoms | 14 |
| Complexity | 514.16675 |
Chemical Identifiers
| CAS Number | 101619-10-7 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2C=C1C#N |
Product Overview
2-(Methylthio)-3-quinolinecarbonitrile (CAS 101619-10-7), with molecular formula C11H8N2S and molecular weight 200.04 g/mol. IUPAC: 2-methylsulfanylquinoline-3-carbonitrile.
Chemical Property Profile of 2-(Methylthio)-3-quinolinecarbonitrile
Property Insights of 2-(Methylthio)-3-quinolinecarbonitrile
The XLogP value of 2.82838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-3-quinolinecarbonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(Methylthio)-3-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-3-quinolinecarbonitrile has 0 hydrogen bond donor(s) and 3 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-(Methylthio)-3-quinolinecarbonitrile?
The CAS number of 2-(Methylthio)-3-quinolinecarbonitrile is 101619-10-7.
What is the molecular formula of 2-(Methylthio)-3-quinolinecarbonitrile?
The molecular formula of 2-(Methylthio)-3-quinolinecarbonitrile is C11H8N2S.
What is the molecular weight of 2-(Methylthio)-3-quinolinecarbonitrile?
The molecular weight of 2-(Methylthio)-3-quinolinecarbonitrile is 200.04 g/mol.
Where can I buy 2-(Methylthio)-3-quinolinecarbonitrile?
You can request a quote for 2-(Methylthio)-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.