Benzylsulfonic acid
TL;DR: Benzylsulfonic acid (CAS 100-87-8) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylmethanesulfonic acid
Also Known As: Phenylmethanesulfonic acid, BENZYLSULFONIC ACID, Benzenemethanesulfonic acid, Toluene-alpha-sulphonic acid, alpha-Toluenesulfonic acid
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
| Vapor Pressure | 0.0000034 [mmHg] |
Chemical Identifiers
| CAS Number | 100-87-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)O |
| InChIKey | NIXKBAZVOQAHGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylsulfonic acid (CAS 100-87-8), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: phenylmethanesulfonic acid.
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
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 172.02 g/mol.
Where can I buy Benzylsulfonic acid?
You can request a quote for Benzylsulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylsulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzylsulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.