![4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid structure](/static/products/5367/536727-51-2.webp)
4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid
TL;DR: 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid (CAS 536727-51-2) is a chemical compound with molecular formula C11H9NO3S2 and molecular weight 267.00 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)methyl]benzoic acid
Also Known As: ChemDiv2_001246, IFLab1_004994, 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid, 4-[(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid, 4-((4-oxo-2-thioxothiazolidin-3-yl)methyl)benzoic acid
| Molecular Formula | C11H9NO3S2 |
|---|---|
| Molecular Weight | 267.00 g/mol |
| LogP | 1.7451 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.00238 |
| Heavy Atoms | 17 |
| Complexity | 467.99484 |
Chemical Identifiers
| CAS Number | 536727-51-2 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)CC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid (CAS 536727-51-2), with molecular formula C11H9NO3S2 and molecular weight 267.00 g/mol. IUPAC: 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid
Property Insights of 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid
The XLogP value of 1.7451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid has 1 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 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid?
The CAS number of 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid is 536727-51-2.
What is the molecular formula of 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid?
The molecular formula of 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid is C11H9NO3S2.
What is the molecular weight of 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid?
The molecular weight of 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid is 267.00 g/mol.
Where can I buy 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid?
You can request a quote for 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]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)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.