TL;DR: [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 1261158-91-1) is a chemical compound with molecular formula C13H11NO4S2 and molecular weight 309.01294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (Z)-2-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, F0385-0058, (5Z)-5-[(4-Methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
| Molecular Formula | C13H11NO4S2 |
| Molecular Weight | 309.01294 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.01294 Da |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O |
| InChIKey | IFEXFWPCHBOSRU-POHAHGRESA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. Following Lipinski's Rule of Five, [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 1261158-91-1.
The molecular formula of [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is C13H11NO4S2.
The molecular weight of [(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 309.01294 g/mol.
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