4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
TL;DR: 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid (CAS 6322-60-7) is a chemical compound with molecular formula C10H7NO3S2 and molecular weight 252.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Also Known As: 4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzoic acid, 3-ACETYLSTROPHANTHIDIN, N-(4-Carboxyphenyl)rhodanine, 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid, 4-(4-oxo-2-thioxothiazolidin-3-yl)benzoic acid
| Molecular Formula | C10H7NO3S2 |
|---|---|
| Molecular Weight | 252.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.98674 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
| Solubility | >38 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 6322-60-7 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | GYORTKHHBDTZHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid (CAS 6322-60-7), with molecular formula C10H7NO3S2 and molecular weight 252.99 g/mol. IUPAC: 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid.
Chemical Property Profile of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
Property Insights of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid has 1 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 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid?
The CAS number of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid is 6322-60-7.
What is the molecular formula of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid?
The molecular formula of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid is C10H7NO3S2.
What is the molecular weight of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid?
The molecular weight of 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid is 252.99 g/mol.
Where can I buy 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid?
You can request a quote for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.