Diethyl bis(methylsulfanyl)propanedioate
TL;DR: Diethyl bis(methylsulfanyl)propanedioate (CAS 69363-91-3) is a chemical compound with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis(methylsulfanyl)propanedioate
Also Known As: Diethyl bis(methylsulfanyl)propanedioate, diethyl 2,2-bis(methylsulfanyl)propanedioate, Di(methylthio)malonic acid diethyl ester, diethyl 2,2-bis(methylsulfanyl)malonate, bis-methylsulfanyl-malonic acid diethyl ester
| Molecular Formula | C9H16O4S2 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.049 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 69363-91-3 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)(SC)SC |
| InChIKey | IFAPFFUCBUWFFX-UHFFFAOYSA-N |
Product Overview
Diethyl bis(methylsulfanyl)propanedioate (CAS 69363-91-3), with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol. IUPAC: diethyl 2,2-bis(methylsulfanyl)propanedioate.
Chemical Property Profile of Diethyl bis(methylsulfanyl)propanedioate
Property Insights of Diethyl bis(methylsulfanyl)propanedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl bis(methylsulfanyl)propanedioate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl bis(methylsulfanyl)propanedioate. Following Lipinski's Rule of Five, Diethyl bis(methylsulfanyl)propanedioate 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 Diethyl bis(methylsulfanyl)propanedioate?
The CAS number of Diethyl bis(methylsulfanyl)propanedioate is 69363-91-3.
What is the molecular formula of Diethyl bis(methylsulfanyl)propanedioate?
The molecular formula of Diethyl bis(methylsulfanyl)propanedioate is C9H16O4S2.
What is the molecular weight of Diethyl bis(methylsulfanyl)propanedioate?
The molecular weight of Diethyl bis(methylsulfanyl)propanedioate is 252.05 g/mol.
Where can I buy Diethyl bis(methylsulfanyl)propanedioate?
You can request a quote for Diethyl bis(methylsulfanyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl bis(methylsulfanyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl bis(methylsulfanyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.