1-Ethyl-6-methoxyquinoline-2-thione
TL;DR: 1-Ethyl-6-methoxyquinoline-2-thione (CAS 4800-53-7) is a chemical compound with molecular formula C12H13NOS and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-methoxyquinoline-2-thione
Also Known As: 1-Ethyl-6-methoxyquinoline-2(1H)-thione, 1-Ethyl-6-methoxyquinoline-2-thione, 2(1H)-Quinolinethione, 1-ethyl-6-methoxy-, 1-Ethyl-6-methoxy-2(1H)-quinolinethione, 1-ethyl-6-methoxy-1,2-dihydroquinoline-2-thione
| Molecular Formula | C12H13NOS |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0718 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 4800-53-7 |
|---|---|
| SMILES | CCN1C2=C(C=CC1=S)C=C(C=C2)OC |
| InChIKey | XTCNECLGISWWCO-UHFFFAOYSA-N |
Product Overview
1-Ethyl-6-methoxyquinoline-2-thione (CAS 4800-53-7), with molecular formula C12H13NOS and molecular weight 219.07 g/mol. IUPAC: 1-ethyl-6-methoxyquinoline-2-thione.
Chemical Property Profile of 1-Ethyl-6-methoxyquinoline-2-thione
Property Insights of 1-Ethyl-6-methoxyquinoline-2-thione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-6-methoxyquinoline-2-thione. With a topological polar surface area (TPSA) of 44.6 Ų, 1-Ethyl-6-methoxyquinoline-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-6-methoxyquinoline-2-thione has 0 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 1-Ethyl-6-methoxyquinoline-2-thione?
The CAS number of 1-Ethyl-6-methoxyquinoline-2-thione is 4800-53-7.
What is the molecular formula of 1-Ethyl-6-methoxyquinoline-2-thione?
The molecular formula of 1-Ethyl-6-methoxyquinoline-2-thione is C12H13NOS.
What is the molecular weight of 1-Ethyl-6-methoxyquinoline-2-thione?
The molecular weight of 1-Ethyl-6-methoxyquinoline-2-thione is 219.07 g/mol.
Where can I buy 1-Ethyl-6-methoxyquinoline-2-thione?
You can request a quote for 1-Ethyl-6-methoxyquinoline-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-6-methoxyquinoline-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6-methoxyquinoline-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.