5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid
TL;DR: 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid (CAS 307512-66-9) is a chemical compound with molecular formula C11H7NO5S2 and molecular weight 296.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid
Also Known As: IFLab1_003452, 5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid, 5-(4-oxo-2-thioxothiazolidin-3-yl)isophthalic acid, 5-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid
| Molecular Formula | C11H7NO5S2 |
|---|---|
| Molecular Weight | 296.98 g/mol |
| LogP | 1.4477 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.97656 |
| Heavy Atoms | 19 |
| Complexity | 564.85315 |
Chemical Identifiers
| CAS Number | 307512-66-9 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)C2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid (CAS 307512-66-9), with molecular formula C11H7NO5S2 and molecular weight 296.98 g/mol. IUPAC: 5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid
Property Insights of 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid
The XLogP value of 1.4477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid has 2 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 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid?
The CAS number of 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid is 307512-66-9.
What is the molecular formula of 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid is C11H7NO5S2.
What is the molecular weight of 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid is 296.98 g/mol.
Where can I buy 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.