2-(Benzylthio)quinoline
TL;DR: 2-(Benzylthio)quinoline (CAS 116249-87-7) is a chemical compound with molecular formula C16H13NS and molecular weight 251.07687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanylquinoline
Also Known As: 2-(Benzylthio)quinoline, 2-benzylsulfanylquinoline, 2-(benzylsulfanyl)quinoline, 2-Quinolinylbenzyl sulfide, J1.594.104I
Technical Specifications
| Molecular Formula | C16H13NS |
| Molecular Weight | 251.07687 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.07687 Da |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2 |
| InChIKey | SVGSEZUHJSTFHU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzylthio)quinoline
Property Insights of 2-(Benzylthio)quinoline
The XLogP value of 4.5 indicates that 2-(Benzylthio)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 2-(Benzylthio)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)quinoline has 0 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 2-(Benzylthio)quinoline?
The CAS number of 2-(Benzylthio)quinoline is 116249-87-7.
What is the molecular formula of 2-(Benzylthio)quinoline?
The molecular formula of 2-(Benzylthio)quinoline is C16H13NS.
What is the molecular weight of 2-(Benzylthio)quinoline?
The molecular weight of 2-(Benzylthio)quinoline is 251.07687 g/mol.
Where can I buy 2-(Benzylthio)quinoline?
You can request a quote for 2-(Benzylthio)quinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzylthio)quinoline?
Yes, CoreyChem provides custom synthesis services for 2-(Benzylthio)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.