2(1H)-Quinolinethione
TL;DR: 2(1H)-Quinolinethione (CAS 4481-48-5) 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.
1H-quinoline-2-thione
Also Known As: 2-Quinolinethiol, Quinoline-2-thiol, 2(1H)-Quinolinethione, Thiocarbostyril, 2-Mercaptoquinoline
| Molecular Formula | C9H7NS |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 2.89739 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.02992 |
| Heavy Atoms | 11 |
| Complexity | 430.51083 |
Chemical Identifiers
| CAS Number | 4481-48-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=S)N2 |
Product Overview
2(1H)-Quinolinethione (CAS 4481-48-5), with molecular formula C9H7NS and molecular weight 161.03 g/mol. IUPAC: 1H-quinoline-2-thione.
Chemical Property Profile of 2(1H)-Quinolinethione
Property Insights of 2(1H)-Quinolinethione
The XLogP value of 2.89739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Quinolinethione. With a topological polar surface area (TPSA) of 15.79 Ų, 2(1H)-Quinolinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Quinolinethione has 1 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 2(1H)-Quinolinethione?
The CAS number of 2(1H)-Quinolinethione is 4481-48-5.
What is the molecular formula of 2(1H)-Quinolinethione?
The molecular formula of 2(1H)-Quinolinethione is C9H7NS.
What is the molecular weight of 2(1H)-Quinolinethione?
The molecular weight of 2(1H)-Quinolinethione is 161.03 g/mol.
Where can I buy 2(1H)-Quinolinethione?
You can request a quote for 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 2(1H)-Quinolinethione?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Quinolinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.