Butyl benzenesulfonate
TL;DR: Butyl benzenesulfonate (CAS 80-44-4) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl benzenesulfonate
Also Known As: BUTYL BENZENESULFONATE, ButylBenzenesulfonate, Benzenesulfonic acid n-butyl ester, Benzenesulfonic Acid Butyl Ester, butoxysulfonylbenzene
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14O3S |
| Molecular Weight | 214.06636 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.06636 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | CCCCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | NIKBCKTWWPVAIC-UHFFFAOYSA-N |
Product Description
Applications: Butyl benzenesulfonate is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl benzenesulfonate (CAS 80-44-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Butyl benzenesulfonate (CAS 80-44-4) is a polymer intermediate with the molecular formula C10H14O3S and a molecular weight of 214.07 g/mol. It is also known as BUTYL BENZENESULFONATE and ButylBenzenesulfonate.
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 Butyl benzenesulfonate
Property Insights of Butyl benzenesulfonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Butyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl benzenesulfonate?
The CAS number of Butyl benzenesulfonate is 80-44-4.
What is the molecular formula of Butyl benzenesulfonate?
The molecular formula of Butyl benzenesulfonate is C10H14O3S.
What is the molecular weight of Butyl benzenesulfonate?
The molecular weight of Butyl benzenesulfonate is 214.06636 g/mol.
What are the applications of Butyl benzenesulfonate?
Butyl benzenesulfonate is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl benzenesulfonate (CAS 80-44-4) with custom synthesis...
Where can I buy Butyl benzenesulfonate?
You can request a quote for Butyl benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Butyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.