4-(Phenylthio)isoquinoline
TL;DR: 4-(Phenylthio)isoquinoline (CAS 106510-95-6) is a chemical compound with molecular formula C15H11NS and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylsulfanylisoquinoline
Also Known As: 4-(phenylsulfanyl)isoquinoline, 4-(Phenylthio)isoquinoline, 4-phenylsulfanylisoquinoline, 4-phenylthioisoquinoline, starbld0024619
| Molecular Formula | C15H11NS |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 4.386 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.06122 |
| Heavy Atoms | 17 |
| Complexity | 629.25275 |
Chemical Identifiers
| CAS Number | 106510-95-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CN=CC3=CC=CC=C32 |
Product Overview
4-(Phenylthio)isoquinoline (CAS 106510-95-6), with molecular formula C15H11NS and molecular weight 237.06 g/mol. IUPAC: 4-phenylsulfanylisoquinoline.
Chemical Property Profile of 4-(Phenylthio)isoquinoline
Property Insights of 4-(Phenylthio)isoquinoline
The XLogP value of 4.386 indicates that 4-(Phenylthio)isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-(Phenylthio)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylthio)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-(Phenylthio)isoquinoline?
The CAS number of 4-(Phenylthio)isoquinoline is 106510-95-6.
What is the molecular formula of 4-(Phenylthio)isoquinoline?
The molecular formula of 4-(Phenylthio)isoquinoline is C15H11NS.
What is the molecular weight of 4-(Phenylthio)isoquinoline?
The molecular weight of 4-(Phenylthio)isoquinoline is 237.06 g/mol.
Where can I buy 4-(Phenylthio)isoquinoline?
You can request a quote for 4-(Phenylthio)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylthio)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylthio)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.