Ethyl benzenesulfonate
TL;DR: Ethyl benzenesulfonate (CAS 515-46-8) 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.
ethyl benzenesulfonate
Also Known As: ETHYL BENZENESULFONATE, Ethyl benzenesulphonate, Benzenesulfonic acid ethyl ester, Ethyl Phenylsulfonate, Benzenesulfonic acid, ethyl ester
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.03506 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.03506 Da |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
| SMILES | CCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | XDRMBCMMABGNMM-UHFFFAOYSA-N |
Product Description
Applications: Ethyl benzenesulfonate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl benzenesulfonate (CAS 515-46-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl benzenesulfonate (CAS 515-46-8) is a polymer intermediate with the molecular formula C8H10O3S and a molecular weight of 186.04 g/mol. It is also known as ETHYL BENZENESULFONATE and Ethyl benzenesulphonate.
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 Ethyl benzenesulfonate
Property Insights of Ethyl benzenesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Ethyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl benzenesulfonate has 0 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 Ethyl benzenesulfonate?
The CAS number of Ethyl benzenesulfonate is 515-46-8.
What is the molecular formula of Ethyl benzenesulfonate?
The molecular formula of Ethyl benzenesulfonate is C8H10O3S.
What is the molecular weight of Ethyl benzenesulfonate?
The molecular weight of Ethyl benzenesulfonate is 186.03506 g/mol.
What are the applications of Ethyl benzenesulfonate?
Ethyl benzenesulfonate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl benzenesulfonate (CAS...
Where can I buy Ethyl benzenesulfonate?
You can request a quote for Ethyl benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Ethyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.