3,4-Dichlorobenzenesulfinic acid
TL;DR: 3,4-Dichlorobenzenesulfinic acid (CAS 80035-86-5) is a chemical compound with molecular formula C6H4Cl2O2S and molecular weight 209.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobenzenesulfinic acid
Also Known As: 3,4-dichlorobenzenesulfinic Acid
| Molecular Formula | C6H4Cl2O2S |
|---|---|
| Molecular Weight | 209.93 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.93091 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 80035-86-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)O)Cl)Cl |
| InChIKey | FHHQIPYFDOVBIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorobenzenesulfinic acid (CAS 80035-86-5), with molecular formula C6H4Cl2O2S and molecular weight 209.93 g/mol. IUPAC: 3,4-dichlorobenzenesulfinic acid.
Chemical Property Profile of 3,4-Dichlorobenzenesulfinic acid
Property Insights of 3,4-Dichlorobenzenesulfinic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorobenzenesulfinic acid. With a topological polar surface area (TPSA) of 56.5 Ų, 3,4-Dichlorobenzenesulfinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzenesulfinic 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
Frequently Asked Questions
What is the CAS number of 3,4-Dichlorobenzenesulfinic acid?
The CAS number of 3,4-Dichlorobenzenesulfinic acid is 80035-86-5.
What is the molecular formula of 3,4-Dichlorobenzenesulfinic acid?
The molecular formula of 3,4-Dichlorobenzenesulfinic acid is C6H4Cl2O2S.
What is the molecular weight of 3,4-Dichlorobenzenesulfinic acid?
The molecular weight of 3,4-Dichlorobenzenesulfinic acid is 209.93 g/mol.
Where can I buy 3,4-Dichlorobenzenesulfinic acid?
You can request a quote for 3,4-Dichlorobenzenesulfinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzenesulfinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzenesulfinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.