4-Methyl-1,3-benzenedisulfonic acid
TL;DR: 4-Methyl-1,3-benzenedisulfonic acid (CAS 121-04-0) is a chemical compound with molecular formula C7H8O6S2 and molecular weight 251.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzene-1,3-disulfonic acid
Also Known As: 4-methylbenzene-1,3-disulfonic acid, toluene-2,4-disulfonic acid, 1,3-Benzenedisulfonic acid, 4-methyl-, Toluene-2,4-disulphonic acid, toluenedisulfonic acid
| Molecular Formula | C7H8O6S2 |
|---|---|
| Molecular Weight | 251.98 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.97623 |
| Heavy Atoms | 15 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 121-04-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | LTYBYSFEGHYUDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1,3-benzenedisulfonic acid (CAS 121-04-0), with molecular formula C7H8O6S2 and molecular weight 251.98 g/mol. IUPAC: 4-methylbenzene-1,3-disulfonic acid.
Chemical Property Profile of 4-Methyl-1,3-benzenedisulfonic acid
Property Insights of 4-Methyl-1,3-benzenedisulfonic acid
The XLogP value of -0.2 indicates that 4-Methyl-1,3-benzenedisulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,3-benzenedisulfonic acid. Following Lipinski's Rule of Five, 4-Methyl-1,3-benzenedisulfonic acid has 2 hydrogen bond donor(s) and 6 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 4-Methyl-1,3-benzenedisulfonic acid?
The CAS number of 4-Methyl-1,3-benzenedisulfonic acid is 121-04-0.
What is the molecular formula of 4-Methyl-1,3-benzenedisulfonic acid?
The molecular formula of 4-Methyl-1,3-benzenedisulfonic acid is C7H8O6S2.
What is the molecular weight of 4-Methyl-1,3-benzenedisulfonic acid?
The molecular weight of 4-Methyl-1,3-benzenedisulfonic acid is 251.98 g/mol.
Where can I buy 4-Methyl-1,3-benzenedisulfonic acid?
You can request a quote for 4-Methyl-1,3-benzenedisulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,3-benzenedisulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,3-benzenedisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.