2,4-Dimethylbenzenesulfonic acid
TL;DR: 2,4-Dimethylbenzenesulfonic acid (CAS 88-61-9) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethylbenzenesulfonic acid
Also Known As: 2,4-DIMETHYLBENZENESULFONIC ACID, 2,4-Xylenesulfonic acid, m-Xylenesulfonic acid, m-Xylene-4-sulfonic acid, null
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.03506 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.03506 Da |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)O)C |
| InChIKey | CHZLVSBMXZSPNN-UHFFFAOYSA-N |
Product Description
Applications: 2,4-Dimethylbenzenesulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4-Dimethylbenzenesulfonic acid (CAS 88-61-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2,4-Dimethylbenzenesulfonic acid (CAS 88-61-9) has the molecular formula C8H10O3S and a molecular weight of 186.04 g/mol. It is also known as 2,4-DIMETHYLBENZENESULFONIC ACID and 2,4-Xylenesulfonic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,4-Dimethylbenzenesulfonic acid
Property Insights of 2,4-Dimethylbenzenesulfonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2,4-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
What is the CAS number of 2,4-Dimethylbenzenesulfonic acid?
The CAS number of 2,4-Dimethylbenzenesulfonic acid is 88-61-9.
What is the molecular formula of 2,4-Dimethylbenzenesulfonic acid?
The molecular formula of 2,4-Dimethylbenzenesulfonic acid is C8H10O3S.
What is the molecular weight of 2,4-Dimethylbenzenesulfonic acid?
The molecular weight of 2,4-Dimethylbenzenesulfonic acid is 186.03506 g/mol.
What are the applications of 2,4-Dimethylbenzenesulfonic acid?
2,4-Dimethylbenzenesulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2,4-Dimethylbenzenesulfonic acid?
You can request a quote for 2,4-Dimethylbenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dimethylbenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 2,4-Dimethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.