TL;DR: (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 1527479-57-7) is a chemical compound with molecular formula C12H7Cl2NO3S2 and molecular weight 346.92444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00472984, (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid, 2-[5-[(2,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid, 2-[5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C12H7Cl2NO3S2 |
| Molecular Weight | 346.92444 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.92444 Da |
| Heavy Atoms | 20 |
| Complexity | 483.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=C2C(=O)N(C(=S)S2)CC(=O)O |
| InChIKey | CDYUPXAPPDEIKP-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic 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 (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid. Following Lipinski's Rule of Five, (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is 1527479-57-7.
The molecular formula of (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is C12H7Cl2NO3S2.
The molecular weight of (5Z)-5-[(2,4-Dichlorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is 346.92444 g/mol.
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