![4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid structure](/static/products/1039/103987-82-2.webp)
4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid
TL;DR: 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid (CAS 103987-82-2) is a chemical compound with molecular formula C11H7NO3S2 and molecular weight 264.98672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Also Known As: ART-CHEM-BB B018379, 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid, Y-1505, 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid, 4-(4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzoic acid
Technical Specifications
| Molecular Formula | C11H7NO3S2 |
| Molecular Weight | 264.98672 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.98672 Da |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)C(=O)O |
| InChIKey | CEGWYNRNQDQLNJ-VMPITWQZSA-N |
Chemical Property Profile of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid
Property Insights of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic 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
What is the CAS number of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid?
The CAS number of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid is 103987-82-2.
What is the molecular formula of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid?
The molecular formula of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid is C11H7NO3S2.
What is the molecular weight of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid?
The molecular weight of 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid is 264.98672 g/mol.
Where can I buy 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid?
You can request a quote for 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[(E)-(2-mercapto-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.