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 200.04082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C11H8N2S |
| Molecular Weight | 200.04082 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.04082 Da |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
| SMILES | CSC1=NC2=CC=CC=C2C=C1C#N |
| InChIKey | TYLRFEOMZXHQPL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Methylthio)-3-quinolinecarbonitrile
Property Insights of 2-(Methylthio)-3-quinolinecarbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-3-quinolinecarbonitrile. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-3-quinolinecarbonitrile. 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
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 200.04082 g/mol.
Where can I buy 2-(Methylthio)-3-quinolinecarbonitrile?
You can request a quote for 2-(Methylthio)-3-quinolinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Methylthio)-3-quinolinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Methylthio)-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.