1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile
TL;DR: 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile (CAS 351358-71-9) 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.
6-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile
Also Known As: BAS 02538481, 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile, 2-Mercapto-6-methyl-quinoline-3-carbonitrile, 6-METHYL-2-SULFANYLQUINOLINE-3-CARBONITRILE, 6-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile
| 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 | 351358-71-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=S)C(=C2)C#N |
Product Overview
1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile (CAS 351358-71-9), with molecular formula C11H8N2S and molecular weight 200.04 g/mol. IUPAC: 6-methyl-2-sulfanylidene-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile
Property Insights of 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile
The XLogP value of 3.07749 indicates that 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile 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 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile?
The CAS number of 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile is 351358-71-9.
What is the molecular formula of 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile?
The molecular formula of 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile is C11H8N2S.
What is the molecular weight of 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile?
The molecular weight of 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile is 200.04 g/mol.
Where can I buy 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile?
You can request a quote for 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-6-methyl-2-thioxo-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.