Ethyl 2-(methyldithio)propionate
TL;DR: Ethyl 2-(methyldithio)propionate (CAS 23747-43-5) is a chemical compound with molecular formula C6H12O2S2 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(methyldisulfanyl)propanoate
Also Known As: Ethyl 2-(methyldithio)propionate, ethyl 2-(methyldisulfanyl)propanoate, ethyl 2-(methyl dithio) propionate, FEMA NO. 3834, Ethyl-2-methyldithio-propionat
| Molecular Formula | C6H12O2S2 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.02788 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
| Boiling Point | 105.00 °C. @ 12.00 mm Hg |
| Density | 1.090-1.120 |
| Solubility | very slightly |
| Refractive Index | 1.490-1.500 |
Chemical Identifiers
| CAS Number | 23747-43-5 |
|---|---|
| SMILES | CCOC(=O)C(C)SSC |
| InChIKey | DZOQRCWJNNRVPT-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(methyldithio)propionate (CAS 23747-43-5), with molecular formula C6H12O2S2 and molecular weight 180.03 g/mol. IUPAC: ethyl 2-(methyldisulfanyl)propanoate.
Chemical Property Profile of Ethyl 2-(methyldithio)propionate
Property Insights of Ethyl 2-(methyldithio)propionate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(methyldithio)propionate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(methyldithio)propionate. Following Lipinski's Rule of Five, Ethyl 2-(methyldithio)propionate 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 2-(methyldithio)propionate?
The CAS number of Ethyl 2-(methyldithio)propionate is 23747-43-5.
What is the molecular formula of Ethyl 2-(methyldithio)propionate?
The molecular formula of Ethyl 2-(methyldithio)propionate is C6H12O2S2.
What is the molecular weight of Ethyl 2-(methyldithio)propionate?
The molecular weight of Ethyl 2-(methyldithio)propionate is 180.03 g/mol.
Where can I buy Ethyl 2-(methyldithio)propionate?
You can request a quote for Ethyl 2-(methyldithio)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(methyldithio)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(methyldithio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.