1-Methyl-2(1H)-quinolinethione
TL;DR: 1-Methyl-2(1H)-quinolinethione (CAS 4800-27-5) 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.
1-methylquinoline-2-thione
Also Known As: 1-methylquinoline-2(1H)-thione, 1-Methylthiochinolon, 1-methyl-quinoline-2-thione, 1-methylquinoline-2-thione, 1-methyl-2-thioquinolone
| Molecular Formula | C10H9NS |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.04558 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 4800-27-5 |
|---|---|
| SMILES | CN1C(=S)C=CC2=CC=CC=C21 |
| InChIKey | PBRBGUUOYSTUHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2(1H)-quinolinethione (CAS 4800-27-5), with molecular formula C10H9NS and molecular weight 175.05 g/mol. IUPAC: 1-methylquinoline-2-thione.
Chemical Property Profile of 1-Methyl-2(1H)-quinolinethione
Property Insights of 1-Methyl-2(1H)-quinolinethione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2(1H)-quinolinethione. With a topological polar surface area (TPSA) of 35.3 Ų, 1-Methyl-2(1H)-quinolinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2(1H)-quinolinethione has 0 hydrogen bond donor(s) and 1 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 1-Methyl-2(1H)-quinolinethione?
The CAS number of 1-Methyl-2(1H)-quinolinethione is 4800-27-5.
What is the molecular formula of 1-Methyl-2(1H)-quinolinethione?
The molecular formula of 1-Methyl-2(1H)-quinolinethione is C10H9NS.
What is the molecular weight of 1-Methyl-2(1H)-quinolinethione?
The molecular weight of 1-Methyl-2(1H)-quinolinethione is 175.05 g/mol.
Where can I buy 1-Methyl-2(1H)-quinolinethione?
You can request a quote for 1-Methyl-2(1H)-quinolinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2(1H)-quinolinethione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2(1H)-quinolinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.