3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol
TL;DR: 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol (CAS 61640-13-9) is a chemical compound with molecular formula C14H14ClNS and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-3-chlorobut-2-enyl]-2-methyl-1H-quinoline-4-thione
Also Known As: BAS 00733388, 3-(3-CHLOROBUT-2-EN-1-YL)-2-METHYLQUINOLINE-4-THIOL, 3-(3-Chloro-but-2-enyl)-2-methyl-quinoline-4-thiol, 3-(3-chlorobut-2-enyl)-2-methyl-1H-quinoline-4-thione, 3-[(Z)-3-chlorobut-2-enyl]-2-methyl-1H-quinoline-4-thione
| Molecular Formula | C14H14ClNS |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 4.89091 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.05356 |
| Heavy Atoms | 17 |
| Complexity | 636.2025 |
Chemical Identifiers
| CAS Number | 61640-13-9 |
|---|---|
| SMILES | CC1=C(C(=S)C2=CC=CC=C2N1)C/C=C(/C)\Cl |
Product Overview
3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol (CAS 61640-13-9), with molecular formula C14H14ClNS and molecular weight 263.05 g/mol. IUPAC: 3-[(Z)-3-chlorobut-2-enyl]-2-methyl-1H-quinoline-4-thione.
Chemical Property Profile of 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol
Property Insights of 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol
The XLogP value of 4.89091 indicates that 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol 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-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol 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-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol?
The CAS number of 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol is 61640-13-9.
What is the molecular formula of 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol?
The molecular formula of 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol is C14H14ClNS.
What is the molecular weight of 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol?
The molecular weight of 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol is 263.05 g/mol.
Where can I buy 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol?
You can request a quote for 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chlorobut-2-EN-1-YL)-2-methylquinoline-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.