m-Toluenesulfonic acid
TL;DR: m-Toluenesulfonic acid (CAS 617-97-0) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbenzenesulfonic acid
Also Known As: 3-methylbenzenesulfonic acid, m-toluenesulfonic acid, Toluene-3-sulfonic acid, 3-methylbenzene-1-sulfonic acid, Benzenesulfonic acid, 3-methyl-
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 617-97-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)O |
| InChIKey | JDQDSEVNMTYMOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Toluenesulfonic acid (CAS 617-97-0), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: 3-methylbenzenesulfonic acid.
Chemical Property Profile of m-Toluenesulfonic acid
Property Insights of m-Toluenesulfonic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Toluenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Toluenesulfonic acid. Following Lipinski's Rule of Five, m-Toluenesulfonic 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 m-Toluenesulfonic acid?
The CAS number of m-Toluenesulfonic acid is 617-97-0.
What is the molecular formula of m-Toluenesulfonic acid?
The molecular formula of m-Toluenesulfonic acid is C7H8O3S.
What is the molecular weight of m-Toluenesulfonic acid?
The molecular weight of m-Toluenesulfonic acid is 172.02 g/mol.
Where can I buy m-Toluenesulfonic acid?
You can request a quote for m-Toluenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Toluenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for m-Toluenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.