Methyl benzenesulfonate
TL;DR: Methyl benzenesulfonate (CAS 80-18-2) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.01941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl benzenesulfonate
Also Known As: METHYL BENZENESULFONATE, Methyl besylate, Methyl benzenesulphonate, methylbenzenesulfonate, Benzenesulfonic acid, methyl ester
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.01941 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.01941 Da |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
| SMILES | COS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | CZXGXYBOQYQXQD-UHFFFAOYSA-N |
Product Description
Applications: Methyl benzenesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl benzenesulfonate (CAS 80-18-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl benzenesulfonate is a heterocyclic building block identified by CAS number 80-18-2 and the molecular formula C7H8O3S and a molecular weight of 172.02 g/mol. It is also known as METHYL BENZENESULFONATE and Methyl besylate.
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 Methyl benzenesulfonate
Property Insights of Methyl benzenesulfonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl benzenesulfonate?
The CAS number of Methyl benzenesulfonate is 80-18-2.
What is the molecular formula of Methyl benzenesulfonate?
The molecular formula of Methyl benzenesulfonate is C7H8O3S.
What is the molecular weight of Methyl benzenesulfonate?
The molecular weight of Methyl benzenesulfonate is 172.01941 g/mol.
What are the applications of Methyl benzenesulfonate?
Methyl benzenesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl benzenesulfonate (CAS...
Where can I buy Methyl benzenesulfonate?
You can request a quote for Methyl benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Methyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.