TL;DR: 3,5-Dichloro-2-hydroxybenzenesulfinic acid (CAS 125927-93-7) is a chemical compound with molecular formula C6H4Cl2O3S and molecular weight 225.92583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-2-hydroxybenzenesulfinic acid
Also Known As: 3,5-Dichloro-2-hydroxybenzenesulfinic acid, NCI60_007244, 3,5-dichloro-2-hydroxy-benzenesulfinic acid
| Molecular Formula | C6H4Cl2O3S |
| Molecular Weight | 225.92583 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.92583 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | C1=C(C=C(C(=C1S(=O)O)O)Cl)Cl |
| InChIKey | ADJSUQLUCKLDME-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloro-2-hydroxybenzenesulfinic acid. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dichloro-2-hydroxybenzenesulfinic acid. Following Lipinski's Rule of Five, 3,5-Dichloro-2-hydroxybenzenesulfinic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,5-Dichloro-2-hydroxybenzenesulfinic acid is 125927-93-7.
The molecular formula of 3,5-Dichloro-2-hydroxybenzenesulfinic acid is C6H4Cl2O3S.
The molecular weight of 3,5-Dichloro-2-hydroxybenzenesulfinic acid is 225.92583 g/mol.
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