4-Ethylbenzenesulfonic acid
TL;DR: 4-Ethylbenzenesulfonic acid (CAS 98-69-1) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethylbenzenesulfonic acid
Also Known As: 4-ETHYLBENZENESULFONIC ACID, p-Ethylbenzenesulfonic acid, Phenylethane-p-sulfonate, 4-Ethylbenzenesulfonicacid, Benzenesulfonic acid, 4-ethyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.03506 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.03506 Da |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
| SMILES | CCC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | BRIXOPDYGQCZFO-UHFFFAOYSA-N |
Product Description
Applications: 4-Ethylbenzenesulfonic acid is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Ethylbenzenesulfonic acid (CAS 98-69-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Ethylbenzenesulfonic acid (CAS 98-69-1) is a photographic chemical with the molecular formula C8H10O3S and a molecular weight of 186.04 g/mol. It is also known as 4-ETHYLBENZENESULFONIC ACID and p-Ethylbenzenesulfonic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Ethylbenzenesulfonic acid
Property Insights of 4-Ethylbenzenesulfonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylbenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethylbenzenesulfonic acid. Following Lipinski's Rule of Five, 4-Ethylbenzenesulfonic 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
What is the CAS number of 4-Ethylbenzenesulfonic acid?
The CAS number of 4-Ethylbenzenesulfonic acid is 98-69-1.
What is the molecular formula of 4-Ethylbenzenesulfonic acid?
The molecular formula of 4-Ethylbenzenesulfonic acid is C8H10O3S.
What is the molecular weight of 4-Ethylbenzenesulfonic acid?
The molecular weight of 4-Ethylbenzenesulfonic acid is 186.03506 g/mol.
What are the applications of 4-Ethylbenzenesulfonic acid?
4-Ethylbenzenesulfonic acid is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Ethylbenzenesulfonic...
Where can I buy 4-Ethylbenzenesulfonic acid?
You can request a quote for 4-Ethylbenzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethylbenzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 4-Ethylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.