3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol
TL;DR: 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol (CAS 61640-14-0) is a chemical compound with molecular formula C15H16ClNS and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-3-chlorobut-2-enyl]-2,6-dimethyl-1H-quinoline-4-thione
Also Known As: BAS 00733393, 2-Methyl-3-nitromethyl-1,3-butadien, 3-(3-CHLOROBUT-2-EN-1-YL)-2,6-DIMETHYLQUINOLINE-4-THIOL, 3-(3-Chloro-but-2-enyl)-2,6-dimethyl-quinoline-4-thiol, 3-(3-chlorobut-2-enyl)-2,6-dimethyl-1H-quinoline-4-thione
| Molecular Formula | C15H16ClNS |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 5.19933 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.06918 |
| Heavy Atoms | 18 |
| Complexity | 678.6885 |
Chemical Identifiers
| CAS Number | 61640-14-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C(C2=S)C/C=C(/C)\Cl)C |
Product Overview
3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol (CAS 61640-14-0), with molecular formula C15H16ClNS and molecular weight 277.07 g/mol. IUPAC: 3-[(Z)-3-chlorobut-2-enyl]-2,6-dimethyl-1H-quinoline-4-thione.
Chemical Property Profile of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol
Property Insights of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol
The XLogP value of 5.19933 indicates that 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-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)-2,6-dimethylquinoline-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)-2,6-dimethylquinoline-4-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol?
The CAS number of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol is 61640-14-0.
What is the molecular formula of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol?
The molecular formula of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol is C15H16ClNS.
What is the molecular weight of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol?
The molecular weight of 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol is 277.07 g/mol.
Where can I buy 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol?
You can request a quote for 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-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)-2,6-dimethylquinoline-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chlorobut-2-EN-1-YL)-2,6-dimethylquinoline-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.