4-Chlorobenzenesulfinic acid
TL;DR: 4-Chlorobenzenesulfinic acid (CAS 100-03-8) is a chemical compound with molecular formula C6H5ClO2S and molecular weight 175.96988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chlorobenzenesulfinic acid
Also Known As: 4-Chlorobenzenesulfinic acid, p-Chlorobenzenesulphinic acid, Benzenesulfinic acid, 4-chloro-, p-Chlorobenzenesulfinic acid, D-Sorbitol
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H5ClO2S |
| Molecular Weight | 175.96988 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.96988 Da |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
| SMILES | C1=CC(=CC=C1S(=O)O)Cl |
| InChIKey | AOQYAMDZQAEDLO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chlorobenzenesulfinic acid
Property Insights of 4-Chlorobenzenesulfinic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzenesulfinic acid. With a topological polar surface area (TPSA) of 56.5 Ų, 4-Chlorobenzenesulfinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzenesulfinic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chlorobenzenesulfinic acid?
The CAS number of 4-Chlorobenzenesulfinic acid is 100-03-8.
What is the molecular formula of 4-Chlorobenzenesulfinic acid?
The molecular formula of 4-Chlorobenzenesulfinic acid is C6H5ClO2S.
What is the molecular weight of 4-Chlorobenzenesulfinic acid?
The molecular weight of 4-Chlorobenzenesulfinic acid is 175.96988 g/mol.
Where can I buy 4-Chlorobenzenesulfinic acid?
You can request a quote for 4-Chlorobenzenesulfinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chlorobenzenesulfinic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chlorobenzenesulfinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.