8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol
TL;DR: 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol (CAS 333769-46-3) is a chemical compound with molecular formula C13H12ClNS and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2-methyl-3-prop-2-enyl-1H-quinoline-4-thione
Also Known As: BAS 00991297, 3-allyl-8-chloro-2-methylquinoline-4-thiol, 3-Allyl-8-chloro-2-methyl-quinoline-4-thiol, 8-chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol, 8-chloro-2-methyl-3-prop-2-enylquinoline-4-thiol
| Molecular Formula | C13H12ClNS |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0379 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 333769-46-3 |
|---|---|
| SMILES | CC1=C(C(=S)C2=C(N1)C(=CC=C2)Cl)CC=C |
| InChIKey | DTHPIPLUBUDGON-UHFFFAOYSA-N |
Product Overview
8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol (CAS 333769-46-3), with molecular formula C13H12ClNS and molecular weight 249.04 g/mol. IUPAC: 8-chloro-2-methyl-3-prop-2-enyl-1H-quinoline-4-thione.
Chemical Property Profile of 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol
Property Insights of 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol
The XLogP value of 4.2 indicates that 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol has 1 hydrogen bond donor(s) and 2 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 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol?
The CAS number of 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol is 333769-46-3.
What is the molecular formula of 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol?
The molecular formula of 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol is C13H12ClNS.
What is the molecular weight of 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol?
The molecular weight of 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol is 249.04 g/mol.
Where can I buy 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol?
You can request a quote for 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-2-methyl-3-(prop-2-en-1-yl)quinoline-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.