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 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C11H8N2S |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 3.07749 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.04082 |
| Heavy Atoms | 14 |
| Complexity | 590.2395 |
Chemical Identifiers
| CAS Number | 116705-01-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=C(C(=S)N2)C#N |
Product Overview
7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile (CAS 116705-01-2), with molecular formula C11H8N2S and molecular weight 200.04 g/mol. IUPAC: 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile.
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 3.07749 indicates that 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 200.04 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile?
Yes, KEHONG BIO 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.