乙烷双(硫代酸)S,S-二乙酯
TL;DR: 乙烷双(硫代酸)S,S-二乙酯 (CAS 615-85-0) is a chemical compound with molecular formula C6H10O2S2 and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙烷双(硫代酸)S,S-二乙酯
1-O,2-O-diethyl ethanebis(thioate)
Also Known As: Diethyl dithiol oxalate, Dithyl dithiooxalate, Diathyldithiooxalat, O,O'-diethyl dithiooxalate, USAF EK-2251
| Molecular Formula | C6H10O2S2 |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.01222 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 615-85-0 |
|---|---|
| SMILES | CCOC(=S)C(=S)OCC |
| InChIKey | VZPUGKMESHWUPK-UHFFFAOYSA-N |
Product Overview
乙烷双(硫代酸)S,S-二乙酯 (CAS 615-85-0), with molecular formula C6H10O2S2 and molecular weight 178.01 g/mol. IUPAC: 1-O,2-O-diethyl ethanebis(thioate).
Chemical Property Profile of 乙烷双(硫代酸)S,S-二乙酯
Property Insights of 乙烷双(硫代酸)S,S-二乙酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙烷双(硫代酸)S,S-二乙酯. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙烷双(硫代酸)S,S-二乙酯. Following Lipinski's Rule of Five, 乙烷双(硫代酸)S,S-二乙酯 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 乙烷双(硫代酸)S,S-二乙酯?
The CAS number of 乙烷双(硫代酸)S,S-二乙酯 is 615-85-0.
What is the molecular formula of 乙烷双(硫代酸)S,S-二乙酯?
The molecular formula of 乙烷双(硫代酸)S,S-二乙酯 is C6H10O2S2.
What is the molecular weight of 乙烷双(硫代酸)S,S-二乙酯?
The molecular weight of 乙烷双(硫代酸)S,S-二乙酯 is 178.01 g/mol.
Where can I buy 乙烷双(硫代酸)S,S-二乙酯?
You can request a quote for 乙烷双(硫代酸)S,S-二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙烷双(硫代酸)S,S-二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙烷双(硫代酸)S,S-二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.