3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid
TL;DR: 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid (CAS 68561-10-4) is a chemical compound with molecular formula C5H7NO5S2 and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid
Also Known As: 4-Oxo-2-thioxo-3-oxazolidineethanesulphonic acid, N-(2-Sulfoethyl)-2-thio-4-ketotetrahydrooxazole, 3-Oxazolidineethanesulfonic acid, 4-oxo-2-thioxo-, 3-ethyl-4-oxo-2-thioxo-1,3-oxazolidine-5-sulfonic acid, 3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid
| Molecular Formula | C5H7NO5S2 |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.97656 |
| Heavy Atoms | 13 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 68561-10-4 |
|---|---|
| SMILES | CCN1C(=O)C(OC1=S)S(=O)(=O)O |
| InChIKey | YKFQTAXUUZEIRH-UHFFFAOYSA-N |
Product Overview
3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid (CAS 68561-10-4), with molecular formula C5H7NO5S2 and molecular weight 224.98 g/mol. IUPAC: 3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid.
Chemical Property Profile of 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid
Property Insights of 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid. Following Lipinski's Rule of Five, 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid has 1 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 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid?
The CAS number of 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid is 68561-10-4.
What is the molecular formula of 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid?
The molecular formula of 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid is C5H7NO5S2.
What is the molecular weight of 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid?
The molecular weight of 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid is 224.98 g/mol.
Where can I buy 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid?
You can request a quote for 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidine-5-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.