7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile
TL;DR: 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile (CAS 116705-01-2) 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.
7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile
Also Known As: BAS 02538480, 2-Mercapto-7-methyl-quinoline-3-carbonitrile, 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile, 1,2-dihydro-7-methyl-2-thioxo-3-quinolinecarbonitrile
Technical Specifications
| Molecular Formula | C11H8N2S |
| Molecular Weight | 200.04082 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.04082 Da |
| Heavy Atoms | 14 |
| Complexity | 336.0 |
| SMILES | CC1=CC2=C(C=C1)C=C(C(=S)N2)C#N |
| InChIKey | TYNHOKWDZQESAU-UHFFFAOYSA-N |
Chemical Property Profile of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile
Property Insights of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile. Following Lipinski's Rule of Five, 7-methyl-2-sulfanylidene-1H-quinoline-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
What is the CAS number of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile?
The CAS number of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile is 116705-01-2.
What is the molecular formula of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile?
The molecular formula of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile is C11H8N2S.
What is the molecular weight of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile?
The molecular weight of 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile is 200.04082 g/mol.
Where can I buy 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile?
You can request a quote for 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.