2,5-Dimethylbenzenesulfonic acid
TL;DR: 2,5-Dimethylbenzenesulfonic acid (CAS 609-54-1) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylbenzenesulfonic acid
Also Known As: 2,5-DIMETHYLBENZENESULFONIC ACID, p-Xylene-2-sulfonic acid, sulfo-p-xylylene, p-Xylenesulfonic acid, 2,5-Xylenesulfonic acid
| Molecular Formula | C8H10O3S |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.03506 |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 609-54-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)O |
| InChIKey | IRLYGRLEBKCYPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethylbenzenesulfonic acid (CAS 609-54-1), with molecular formula C8H10O3S and molecular weight 186.04 g/mol. IUPAC: 2,5-dimethylbenzenesulfonic acid.
Chemical Property Profile of 2,5-Dimethylbenzenesulfonic acid
Property Insights of 2,5-Dimethylbenzenesulfonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dimethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2,5-Dimethylbenzenesulfonic 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 2,5-Dimethylbenzenesulfonic acid?
The CAS number of 2,5-Dimethylbenzenesulfonic acid is 609-54-1.
What is the molecular formula of 2,5-Dimethylbenzenesulfonic acid?
The molecular formula of 2,5-Dimethylbenzenesulfonic acid is C8H10O3S.
What is the molecular weight of 2,5-Dimethylbenzenesulfonic acid?
The molecular weight of 2,5-Dimethylbenzenesulfonic acid is 186.04 g/mol.
Where can I buy 2,5-Dimethylbenzenesulfonic acid?
You can request a quote for 2,5-Dimethylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.