Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-
TL;DR: Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy- (CAS 21894-02-0) is a chemical compound with molecular formula C8H10O4S and molecular weight 202.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3,5-dimethylbenzenesulfonic acid
Also Known As: 2,6-Dimethylphenol-4-sulfonic acid, DX80-2, 4-hydroxy-3,5-dimethylbenzenesulfonic acid, 3,5-Xylenesulfonic acid, 4-hydroxy-, Benzenesulfonic acid, 4-hydroxy-3,5-dimethyl-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O4S |
| Molecular Weight | 202.02998 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.02998 Da |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
| SMILES | CC1=CC(=CC(=C1O)C)S(=O)(=O)O |
| InChIKey | DAXOZXAQOUHXEH-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-
Property Insights of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy- 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
What is the CAS number of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-?
The CAS number of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy- is 21894-02-0.
What is the molecular formula of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-?
The molecular formula of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy- is C8H10O4S.
What is the molecular weight of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-?
The molecular weight of Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy- is 202.02998 g/mol.
Where can I buy Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-?
You can request a quote for Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy-?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, 3,5-dimethyl-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.