8-巯基喹啉
TL;DR: 8-巯基喹啉 (CAS 491-33-8) is a chemical compound with molecular formula C9H7NS and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-巯基喹啉
quinoline-8-thiol
Also Known As: quinoline-8-thiol, 8-Mercaptoquinoline, 8-Quinolinethiol, Thiooxin, Thiooxine
| Molecular Formula | C9H7NS |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 13.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.02992 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 491-33-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)S)N=CC=C2 |
| InChIKey | MHTSJSRDFXZFHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-巯基喹啉 (CAS 491-33-8), with molecular formula C9H7NS and molecular weight 161.03 g/mol. IUPAC: quinoline-8-thiol.
Chemical Property Profile of 8-巯基喹啉
Property Insights of 8-巯基喹啉
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-巯基喹啉. With a topological polar surface area (TPSA) of 13.9 Ų, 8-巯基喹啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-巯基喹啉 has 1 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 8-巯基喹啉?
The CAS number of 8-巯基喹啉 is 491-33-8.
What is the molecular formula of 8-巯基喹啉?
The molecular formula of 8-巯基喹啉 is C9H7NS.
What is the molecular weight of 8-巯基喹啉?
The molecular weight of 8-巯基喹啉 is 161.03 g/mol.
Where can I buy 8-巯基喹啉?
You can request a quote for 8-巯基喹啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-巯基喹啉?
Yes, KEHONG BIO provides custom synthesis services for 8-巯基喹啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.