2,4,6-Trimethylbenzenesulfonic acid
TL;DR: 2,4,6-Trimethylbenzenesulfonic acid (CAS 3453-83-6) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylbenzenesulfonic acid
Also Known As: 2,4,6-Trimethylbenzenesulfonic acid, 2-Mesitylenesulfonic acid, Mesitylenesulfonic acid, Mesitylsulfonic acid, mesitylenesulfonate
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 3453-83-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C |
| InChIKey | LXFQSRIDYRFTJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trimethylbenzenesulfonic acid (CAS 3453-83-6), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: 2,4,6-trimethylbenzenesulfonic acid.
Chemical Property Profile of 2,4,6-Trimethylbenzenesulfonic acid
Property Insights of 2,4,6-Trimethylbenzenesulfonic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trimethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzenesulfonic 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 2,4,6-Trimethylbenzenesulfonic acid?
The CAS number of 2,4,6-Trimethylbenzenesulfonic acid is 3453-83-6.
What is the molecular formula of 2,4,6-Trimethylbenzenesulfonic acid?
The molecular formula of 2,4,6-Trimethylbenzenesulfonic acid is C9H12O3S.
What is the molecular weight of 2,4,6-Trimethylbenzenesulfonic acid?
The molecular weight of 2,4,6-Trimethylbenzenesulfonic acid is 200.05 g/mol.
Where can I buy 2,4,6-Trimethylbenzenesulfonic acid?
You can request a quote for 2,4,6-Trimethylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.