Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester
TL;DR: Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester (CAS 40771-33-3) is a chemical compound with molecular formula C14H14N2O2S2 and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[3-(acetylsulfanylmethyl)quinoxalin-2-yl]methyl] ethanethioate
Also Known As: 2,3-Bis(acetylmercaptomethyl)quinoxaline, Sid 765718, 2,3-bis-(acetylthiomethyl)quinoxaline, 2,3-BIS-ACETYLSULFANYLMETHYL-QUINOXALINE, s,s'-(quinoxaline-2,3-diyldimethanediyl) diethanethioate
| Molecular Formula | C14H14N2O2S2 |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.04968 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 40771-33-3 |
|---|---|
| SMILES | CC(=O)SCC1=NC2=CC=CC=C2N=C1CSC(=O)C |
| InChIKey | KIYGADXCTZZZDG-UHFFFAOYSA-N |
Product Overview
Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester (CAS 40771-33-3), with molecular formula C14H14N2O2S2 and molecular weight 306.05 g/mol. IUPAC: S-[[3-(acetylsulfanylmethyl)quinoxalin-2-yl]methyl] ethanethioate.
Chemical Property Profile of Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester
Property Insights of Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester. Following Lipinski's Rule of Five, Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester has 0 hydrogen bond donor(s) and 6 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 Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester?
The CAS number of Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester is 40771-33-3.
What is the molecular formula of Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester?
The molecular formula of Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester is C14H14N2O2S2.
What is the molecular weight of Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester?
The molecular weight of Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester is 306.05 g/mol.
Where can I buy Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester?
You can request a quote for Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S,S'-(2,3-quinoxalinediylbis(methylene)) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.