5-Hydroxy-p-cymene-2-sulphonic acid
TL;DR: 5-Hydroxy-p-cymene-2-sulphonic acid (CAS 96-68-4) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
Also Known As: Thymolsulfonic acid, 6-Thymolsulfonic acid, 5-Hydroxy-p-cymene-2-sulphonic acid, Thymol-6-sulfonic acid, NCIOpen2_007298
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 96-68-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O |
| InChIKey | LYWNNXMNOSKLHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxy-p-cymene-2-sulphonic acid (CAS 96-68-4), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid.
Chemical Property Profile of 5-Hydroxy-p-cymene-2-sulphonic acid
Property Insights of 5-Hydroxy-p-cymene-2-sulphonic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-p-cymene-2-sulphonic acid. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-p-cymene-2-sulphonic acid. Following Lipinski's Rule of Five, 5-Hydroxy-p-cymene-2-sulphonic acid has 2 hydrogen bond donor(s) and 4 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 5-Hydroxy-p-cymene-2-sulphonic acid?
The CAS number of 5-Hydroxy-p-cymene-2-sulphonic acid is 96-68-4.
What is the molecular formula of 5-Hydroxy-p-cymene-2-sulphonic acid?
The molecular formula of 5-Hydroxy-p-cymene-2-sulphonic acid is C10H14O4S.
What is the molecular weight of 5-Hydroxy-p-cymene-2-sulphonic acid?
The molecular weight of 5-Hydroxy-p-cymene-2-sulphonic acid is 230.06 g/mol.
Where can I buy 5-Hydroxy-p-cymene-2-sulphonic acid?
You can request a quote for 5-Hydroxy-p-cymene-2-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-p-cymene-2-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-p-cymene-2-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.