2-Methylbenzenesulfonic acid
TL;DR: 2-Methylbenzenesulfonic acid (CAS 88-20-0) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.01941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbenzenesulfonic acid
Also Known As: 2-methylbenzenesulfonic acid, 2-Toluenesulfonic acid, Toluenesulfonic acid, Toluene-2-sulfonic acid, o-toluenesulfonic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.01941 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.01941 Da |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
| SMILES | CC1=CC=CC=C1S(=O)(=O)O |
| InChIKey | LBLYYCQCTBFVLH-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbenzenesulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 2-Methylbenzenesulfonic acid (CAS 88-20-0) has the molecular formula C7H8O3S and a molecular weight of 172.02 g/mol. Synonyms include 2-methylbenzenesulfonic acid and 2-Toluenesulfonic 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-Methylbenzenesulfonic acid
Property Insights of 2-Methylbenzenesulfonic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Methylbenzenesulfonic 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-Methylbenzenesulfonic acid?
The CAS number of 2-Methylbenzenesulfonic acid is 88-20-0.
What is the molecular formula of 2-Methylbenzenesulfonic acid?
The molecular formula of 2-Methylbenzenesulfonic acid is C7H8O3S.
What is the molecular weight of 2-Methylbenzenesulfonic acid?
The molecular weight of 2-Methylbenzenesulfonic acid is 172.01941 g/mol.
What are the applications of 2-Methylbenzenesulfonic acid?
2-Methylbenzenesulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 2-Methylbenzenesulfonic acid?
You can request a quote for 2-Methylbenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.