3-Ethyl-5,8-dimethylquinoline-2-thiol
TL;DR: 3-Ethyl-5,8-dimethylquinoline-2-thiol (CAS 604754-90-7) is a chemical compound with molecular formula C13H15NS and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5,8-dimethyl-1H-quinoline-2-thione
Also Known As: 3-Ethyl-5,8-dimethylquinoline-2-thiol, 3-Ethyl-5,8-dimethyl-2-quinolinethiol, 3-ethyl-5,8-dimethyl-1H-quinoline-2-thione, 2(1H)-Quinolinethione, 3-ethyl-5,8-dimethyl- (9CI)
| Molecular Formula | C13H15NS |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 4.07663 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.09251 |
| Heavy Atoms | 15 |
| Complexity | 566.49304 |
Chemical Identifiers
| CAS Number | 604754-90-7 |
|---|---|
| SMILES | CCC1=CC2=C(C=CC(=C2NC1=S)C)C |
Product Overview
3-Ethyl-5,8-dimethylquinoline-2-thiol (CAS 604754-90-7), with molecular formula C13H15NS and molecular weight 217.09 g/mol. IUPAC: 3-ethyl-5,8-dimethyl-1H-quinoline-2-thione.
Chemical Property Profile of 3-Ethyl-5,8-dimethylquinoline-2-thiol
Property Insights of 3-Ethyl-5,8-dimethylquinoline-2-thiol
The XLogP value of 4.07663 indicates that 3-Ethyl-5,8-dimethylquinoline-2-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-Ethyl-5,8-dimethylquinoline-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-5,8-dimethylquinoline-2-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-Ethyl-5,8-dimethylquinoline-2-thiol?
The CAS number of 3-Ethyl-5,8-dimethylquinoline-2-thiol is 604754-90-7.
What is the molecular formula of 3-Ethyl-5,8-dimethylquinoline-2-thiol?
The molecular formula of 3-Ethyl-5,8-dimethylquinoline-2-thiol is C13H15NS.
What is the molecular weight of 3-Ethyl-5,8-dimethylquinoline-2-thiol?
The molecular weight of 3-Ethyl-5,8-dimethylquinoline-2-thiol is 217.09 g/mol.
Where can I buy 3-Ethyl-5,8-dimethylquinoline-2-thiol?
You can request a quote for 3-Ethyl-5,8-dimethylquinoline-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5,8-dimethylquinoline-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5,8-dimethylquinoline-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.