(5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid
TL;DR: (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid (CAS 1431637-19-2) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.04935 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5E)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00474008, 2-[(5E)-4-oxo-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (5-(4-ISOPROPYL-BENZYLIDENE)-4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-ACETIC ACID, (E)-2-(5-(4-Isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid
Technical Specifications
| Molecular Formula | C15H15NO3S2 |
| Molecular Weight | 321.04935 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.04935 Da |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
| InChIKey | HMBZKKVQUCQJPG-KPKJPENVSA-N |
Chemical Property Profile of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid
Property Insights of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid
The XLogP value of 3.7 indicates that (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid. Following Lipinski's Rule of Five, (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic 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
What is the CAS number of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid?
The CAS number of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid is 1431637-19-2.
What is the molecular formula of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid?
The molecular formula of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid is C15H15NO3S2.
What is the molecular weight of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid?
The molecular weight of (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid is 321.04935 g/mol.
Where can I buy (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid?
You can request a quote for (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid?
Yes, CoreyChem provides custom synthesis services for (5-(4-Isopropyl-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-YL)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.