Ethyl bis(ethylthio)acetate
TL;DR: Ethyl bis(ethylthio)acetate (CAS 20461-95-4) is a chemical compound with molecular formula C8H16O2S2 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-bis(ethylsulfanyl)acetate
Also Known As: Ethyl bis(ethylthio)acetate, ethyl 2,2-bis(ethylsulfanyl)acetate, Ethyl di(ethylthio)acetate, Ethyl bis(ethylsulfanyl)acetate, Ethyl-bis(ethythio)acetate
| Molecular Formula | C8H16O2S2 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.05917 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 20461-95-4 |
|---|---|
| SMILES | CCOC(=O)C(SCC)SCC |
| InChIKey | DGQHHBMWVOYSHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl bis(ethylthio)acetate (CAS 20461-95-4), with molecular formula C8H16O2S2 and molecular weight 208.06 g/mol. IUPAC: ethyl 2,2-bis(ethylsulfanyl)acetate.
Chemical Property Profile of Ethyl bis(ethylthio)acetate
Property Insights of Ethyl bis(ethylthio)acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl bis(ethylthio)acetate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl bis(ethylthio)acetate. Following Lipinski's Rule of Five, Ethyl bis(ethylthio)acetate has 0 hydrogen bond donor(s) and 4 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 Ethyl bis(ethylthio)acetate?
The CAS number of Ethyl bis(ethylthio)acetate is 20461-95-4.
What is the molecular formula of Ethyl bis(ethylthio)acetate?
The molecular formula of Ethyl bis(ethylthio)acetate is C8H16O2S2.
What is the molecular weight of Ethyl bis(ethylthio)acetate?
The molecular weight of Ethyl bis(ethylthio)acetate is 208.06 g/mol.
Where can I buy Ethyl bis(ethylthio)acetate?
You can request a quote for Ethyl bis(ethylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl bis(ethylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl bis(ethylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.