S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate
TL;DR: S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate (CAS 40448-83-7) is a chemical compound with molecular formula C14H14N2OS and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2-cyano-6-methyl-2H-quinoline-1-carbothioate
Also Known As: 1(2H)-Quinolinecarbothioic acid, S-ethyl ester, S-ethyl 2-cyano-6-methyl-2H-quinoline-1-carbothioate, S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate
| Molecular Formula | C14H14N2OS |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.08267 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 40448-83-7 |
|---|---|
| SMILES | CCSC(=O)N1C(C=CC2=C1C=CC(=C2)C)C#N |
| InChIKey | MKFHKTKCKYGVJL-UHFFFAOYSA-N |
Product Overview
S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate (CAS 40448-83-7), with molecular formula C14H14N2OS and molecular weight 258.08 g/mol. IUPAC: S-ethyl 2-cyano-6-methyl-2H-quinoline-1-carbothioate.
Chemical Property Profile of S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate
Property Insights of S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate
The XLogP value of 3.3 indicates that S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate. Following Lipinski's Rule of Five, S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate has 0 hydrogen bond donor(s) and 3 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 S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate?
The CAS number of S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate is 40448-83-7.
What is the molecular formula of S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate?
The molecular formula of S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate is C14H14N2OS.
What is the molecular weight of S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate?
The molecular weight of S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate is 258.08 g/mol.
Where can I buy S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate?
You can request a quote for S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl 2-cyano-6-methylquinoline-1(2H)-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.