3-Butyl-2-methyl-4-quinolinethiol
TL;DR: 3-Butyl-2-methyl-4-quinolinethiol (CAS 332149-97-0) is a chemical compound with molecular formula C14H17NS and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-methyl-1H-quinoline-4-thione
Also Known As: 3-butyl-2-methyl-4-quinolinethiol, 3-butyl-2-methyl-1H-quinoline-4-thione, 3-butyl-2-methylquinoline-4-thiol, 3-Butyl-2-methyl-quinoline-4-thiol, BAS 00733316
| Molecular Formula | C14H17NS |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 4.54841 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10817 |
| Heavy Atoms | 16 |
| Complexity | 554.1542 |
Chemical Identifiers
| CAS Number | 332149-97-0 |
|---|---|
| SMILES | CCCCC1=C(NC2=CC=CC=C2C1=S)C |
Product Overview
3-Butyl-2-methyl-4-quinolinethiol (CAS 332149-97-0), with molecular formula C14H17NS and molecular weight 231.11 g/mol. IUPAC: 3-butyl-2-methyl-1H-quinoline-4-thione.
Chemical Property Profile of 3-Butyl-2-methyl-4-quinolinethiol
Property Insights of 3-Butyl-2-methyl-4-quinolinethiol
The XLogP value of 4.54841 indicates that 3-Butyl-2-methyl-4-quinolinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 3-Butyl-2-methyl-4-quinolinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-2-methyl-4-quinolinethiol 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 3-Butyl-2-methyl-4-quinolinethiol?
The CAS number of 3-Butyl-2-methyl-4-quinolinethiol is 332149-97-0.
What is the molecular formula of 3-Butyl-2-methyl-4-quinolinethiol?
The molecular formula of 3-Butyl-2-methyl-4-quinolinethiol is C14H17NS.
What is the molecular weight of 3-Butyl-2-methyl-4-quinolinethiol?
The molecular weight of 3-Butyl-2-methyl-4-quinolinethiol is 231.11 g/mol.
Where can I buy 3-Butyl-2-methyl-4-quinolinethiol?
You can request a quote for 3-Butyl-2-methyl-4-quinolinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-2-methyl-4-quinolinethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-2-methyl-4-quinolinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.