6-Methyl-2-(phenylthio)quinoline
TL;DR: 6-Methyl-2-(phenylthio)quinoline (CAS 72076-54-1) 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.
6-methyl-2-phenylsulfanylquinoline
Also Known As: 6-Methyl-2-(phenylthio)quinoline, 6-methyl-2-phenylsulfanylquinoline, 6-Methyl-2- quinoline, Quinoline, 6-methyl-2-(phenylthio)-, 6-METHYL-2-(PHENYLSULFANYL)QUINOLINE
| Molecular Formula | C16H13NS |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 4.69442 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07687 |
| Heavy Atoms | 18 |
| Complexity | 677.0016 |
Chemical Identifiers
| CAS Number | 72076-54-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2)SC3=CC=CC=C3 |
Product Overview
6-Methyl-2-(phenylthio)quinoline (CAS 72076-54-1), with molecular formula C16H13NS and molecular weight 251.08 g/mol. IUPAC: 6-methyl-2-phenylsulfanylquinoline.
Chemical Property Profile of 6-Methyl-2-(phenylthio)quinoline
Property Insights of 6-Methyl-2-(phenylthio)quinoline
The XLogP value of 4.69442 indicates that 6-Methyl-2-(phenylthio)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 6-Methyl-2-(phenylthio)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2-(phenylthio)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 6-Methyl-2-(phenylthio)quinoline?
The CAS number of 6-Methyl-2-(phenylthio)quinoline is 72076-54-1.
What is the molecular formula of 6-Methyl-2-(phenylthio)quinoline?
The molecular formula of 6-Methyl-2-(phenylthio)quinoline is C16H13NS.
What is the molecular weight of 6-Methyl-2-(phenylthio)quinoline?
The molecular weight of 6-Methyl-2-(phenylthio)quinoline is 251.08 g/mol.
Where can I buy 6-Methyl-2-(phenylthio)quinoline?
You can request a quote for 6-Methyl-2-(phenylthio)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2-(phenylthio)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-(phenylthio)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.