TL;DR: (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid (CAS 1261158-86-4) is a chemical compound with molecular formula C15H13Cl2NO3S2 and molecular weight 388.9714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
Also Known As: (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid, AB00091018-01, F0385-0570, 2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid, 2-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
| Molecular Formula | C15H13Cl2NO3S2 |
| Molecular Weight | 388.9714 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.9714 Da |
| Heavy Atoms | 23 |
| Complexity | 541.0 |
| SMILES | CCCC(C(=O)O)N1C(=O)/C(=C/C2=C(C=C(C=C2)Cl)Cl)/SC1=S |
| InChIKey | GVWMZTLFUNPRTG-SDQBBNPISA-N |
The XLogP value of 5.1 indicates that (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic 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 (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid. Following Lipinski's Rule of Five, (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 1261158-86-4.
The molecular formula of (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is C15H13Cl2NO3S2.
The molecular weight of (Z)-2-(5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 388.9714 g/mol.
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