TL;DR: 3-(3,4-Dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one (CAS 109052-16-6) is a chemical compound with molecular formula C9H7Cl2NO2S and molecular weight 262.95746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one
Also Known As: 3-(3,4-dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one, 3-(3,4-dichlorophenyl)-1lambda~4~,3-thiazolane-1,4-dione, 3-(3,4-dichlorophenyl)thiazolidin-4-one 1-oxide, 6D-023, 3-(3,4-Dichlorophenyl)-3-thiazolane-1,4-dione
| Molecular Formula | C9H7Cl2NO2S |
| Molecular Weight | 262.95746 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.95746 Da |
| Heavy Atoms | 15 |
| Complexity | 300.0 |
| SMILES | C1C(=O)N(CS1=O)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | DEPGXMLIHZXPHL-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one. With a topological polar surface area (TPSA) of 56.6 Ų, 3-(3,4-Dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3,4-Dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one is 109052-16-6.
The molecular formula of 3-(3,4-Dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one is C9H7Cl2NO2S.
The molecular weight of 3-(3,4-Dichlorophenyl)-1-oxo-1,3-thiazolidin-4-one is 262.95746 g/mol.
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