Benzylsulfonic acid
TL;DR: Benzylsulfonic acid (CAS 100-87-8) 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.
phenylmethanesulfonic acid
Also Known As: Phenylmethanesulfonic acid, BENZYLSULFONIC ACID, Benzenemethanesulfonic acid, Toluene-alpha-sulphonic acid, alpha-Toluenesulfonic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.01941 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.01941 Da |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
| Vapor Pressure | 0.0000034 [mmHg] |
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)O |
| InChIKey | NIXKBAZVOQAHGC-UHFFFAOYSA-N |
Product Description
Applications: Benzylsulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzylsulfonic acid (CAS 100-87-8) is a heterocyclic building block with the molecular formula C7H8O3S and a molecular weight of 172.02 g/mol. Synonyms include Phenylmethanesulfonic acid and BENZYLSULFONIC 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 Benzylsulfonic acid
Property Insights of Benzylsulfonic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylsulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylsulfonic acid. Following Lipinski's Rule of Five, Benzylsulfonic 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 Benzylsulfonic acid?
The CAS number of Benzylsulfonic acid is 100-87-8.
What is the molecular formula of Benzylsulfonic acid?
The molecular formula of Benzylsulfonic acid is C7H8O3S.
What is the molecular weight of Benzylsulfonic acid?
The molecular weight of Benzylsulfonic acid is 172.01941 g/mol.
What are the applications of Benzylsulfonic acid?
Benzylsulfonic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Benzylsulfonic acid?
You can request a quote for Benzylsulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzylsulfonic acid?
Yes, CoreyChem provides custom synthesis services for Benzylsulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.