Diethyl 2,2'-thiodiacetate
TL;DR: Diethyl 2,2'-thiodiacetate (CAS 925-47-3) is a chemical compound with molecular formula C8H14O4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate
Also Known As: Diethyl 2,2'-thiodiacetate, Diethyl thioglycolate, Diproxadol, diethyl thiodiglycolate, diethyl thiodiacetate
| Molecular Formula | C8H14O4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.06128 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 925-47-3 |
|---|---|
| SMILES | CCOC(=O)CSCC(=O)OCC |
| InChIKey | TVCSSJHLVLMADJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2'-thiodiacetate (CAS 925-47-3), with molecular formula C8H14O4S and molecular weight 206.06 g/mol. IUPAC: ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate.
Chemical Property Profile of Diethyl 2,2'-thiodiacetate
Property Insights of Diethyl 2,2'-thiodiacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-thiodiacetate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-thiodiacetate. Following Lipinski's Rule of Five, Diethyl 2,2'-thiodiacetate has 0 hydrogen bond donor(s) and 5 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 Diethyl 2,2'-thiodiacetate?
The CAS number of Diethyl 2,2'-thiodiacetate is 925-47-3.
What is the molecular formula of Diethyl 2,2'-thiodiacetate?
The molecular formula of Diethyl 2,2'-thiodiacetate is C8H14O4S.
What is the molecular weight of Diethyl 2,2'-thiodiacetate?
The molecular weight of Diethyl 2,2'-thiodiacetate is 206.06 g/mol.
Where can I buy Diethyl 2,2'-thiodiacetate?
You can request a quote for Diethyl 2,2'-thiodiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-thiodiacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-thiodiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.