4-(Methylthio)isoquinoline
TL;DR: 4-(Methylthio)isoquinoline (CAS 38896-71-8) is a chemical compound with molecular formula C10H9NS and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylisoquinoline
Also Known As: 4-(methylthio)isoquinoline, 4-(Methylsulfanyl)isoquinoline, 4-methylsulfanylisoquinoline, Isoquinoline, 4-(methylthio)-, 4-(Methylsulfanyl)isoquinoline #
| Molecular Formula | C10H9NS |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.04558 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 38896-71-8 |
|---|---|
| SMILES | CSC1=CN=CC2=CC=CC=C21 |
| InChIKey | LJJYUBRSIWDHPJ-UHFFFAOYSA-N |
Product Overview
4-(Methylthio)isoquinoline (CAS 38896-71-8), with molecular formula C10H9NS and molecular weight 175.05 g/mol. IUPAC: 4-methylsulfanylisoquinoline.
Chemical Property Profile of 4-(Methylthio)isoquinoline
Property Insights of 4-(Methylthio)isoquinoline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)isoquinoline. With a topological polar surface area (TPSA) of 38.2 Ų, 4-(Methylthio)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)isoquinoline 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 4-(Methylthio)isoquinoline?
The CAS number of 4-(Methylthio)isoquinoline is 38896-71-8.
What is the molecular formula of 4-(Methylthio)isoquinoline?
The molecular formula of 4-(Methylthio)isoquinoline is C10H9NS.
What is the molecular weight of 4-(Methylthio)isoquinoline?
The molecular weight of 4-(Methylthio)isoquinoline is 175.05 g/mol.
Where can I buy 4-(Methylthio)isoquinoline?
You can request a quote for 4-(Methylthio)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.