![[(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile structure](/static/products/874/874967-20-1.png)
[(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile
TL;DR: [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile (CAS 874967-20-1) is a chemical compound with molecular formula C13H12N2S and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,8-dimethylquinolin-2-yl)sulfanylacetonitrile
Also Known As: [(4,8-dimethyl-2-quinolinyl)sulfanyl]acetonitrile|2-(4,8-dimethylquinolin-2-yl)sulfanylacetonitrile|[(4,8-dimethylquinolin-2-yl)thio]acetonitrile|2-(4,8-dimethyl-2-quinolylthio)ethanenitrile|AS-871/43477333|2-[(4,8-dimethylquinolin-2-yl)sulfanyl]acetonitrile|MFCD07697854
| Molecular Formula | C13H12N2S |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.46732 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07211 |
| Heavy Atoms | 16 |
| Complexity | 569.8897 |
Chemical Identifiers
| CAS Number | 874967-20-1 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=CC(=N2)SCC#N)C |
Product Overview
[(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile (CAS 874967-20-1), with molecular formula C13H12N2S and molecular weight 228.07 g/mol. IUPAC: 2-(4,8-dimethylquinolin-2-yl)sulfanylacetonitrile.
Chemical Property Profile of [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile
Property Insights of [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile
The XLogP value of 3.46732 indicates that [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile 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 [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile?
The CAS number of [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile is 874967-20-1.
What is the molecular formula of [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile?
The molecular formula of [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile is C13H12N2S.
What is the molecular weight of [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile?
The molecular weight of [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile is 228.07 g/mol.
Where can I buy [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile?
You can request a quote for [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(4,8-Dimethyl-2-quinolinyl)sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.