2-(p-Tolylthio)quinoline
TL;DR: 2-(p-Tolylthio)quinoline (CAS 501680-65-5) is a chemical compound with molecular formula C16H13NS and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanylquinoline
Also Known As: 2-(p-Tolylthio)quinoline, 2-(4-methylphenyl)sulfanylquinoline
| Molecular Formula | C16H13NS |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07687 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 501680-65-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C=C2 |
| InChIKey | HKRAWRKWFABXNG-UHFFFAOYSA-N |
Product Overview
2-(p-Tolylthio)quinoline (CAS 501680-65-5), with molecular formula C16H13NS and molecular weight 251.08 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylquinoline.
Chemical Property Profile of 2-(p-Tolylthio)quinoline
Property Insights of 2-(p-Tolylthio)quinoline
The XLogP value of 5.0 indicates that 2-(p-Tolylthio)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-(p-Tolylthio)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(p-Tolylthio)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
Frequently Asked Questions
What is the CAS number of 2-(p-Tolylthio)quinoline?
The CAS number of 2-(p-Tolylthio)quinoline is 501680-65-5.
What is the molecular formula of 2-(p-Tolylthio)quinoline?
The molecular formula of 2-(p-Tolylthio)quinoline is C16H13NS.
What is the molecular weight of 2-(p-Tolylthio)quinoline?
The molecular weight of 2-(p-Tolylthio)quinoline is 251.08 g/mol.
Where can I buy 2-(p-Tolylthio)quinoline?
You can request a quote for 2-(p-Tolylthio)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-Tolylthio)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Tolylthio)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.