2-Phenylethenesulfonic acid
TL;DR: 2-Phenylethenesulfonic acid (CAS 2039-45-4) is a chemical compound with molecular formula C8H8O3S and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethenesulfonic acid
Also Known As: 2-phenylethenesulfonic acid, styrene sulfonic acid, Styrenesulfonic Acid, hydrogen styrene sulfonate, 2-Phenyl-aethensulfonsaeure
| Molecular Formula | C8H8O3S |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.01941 |
| Heavy Atoms | 12 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 2039-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CS(=O)(=O)O |
| InChIKey | AGBXYHCHUYARJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylethenesulfonic acid (CAS 2039-45-4), with molecular formula C8H8O3S and molecular weight 184.02 g/mol. IUPAC: 2-phenylethenesulfonic acid.
Chemical Property Profile of 2-Phenylethenesulfonic acid
Property Insights of 2-Phenylethenesulfonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenylethenesulfonic acid. Following Lipinski's Rule of Five, 2-Phenylethenesulfonic 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 2-Phenylethenesulfonic acid?
The CAS number of 2-Phenylethenesulfonic acid is 2039-45-4.
What is the molecular formula of 2-Phenylethenesulfonic acid?
The molecular formula of 2-Phenylethenesulfonic acid is C8H8O3S.
What is the molecular weight of 2-Phenylethenesulfonic acid?
The molecular weight of 2-Phenylethenesulfonic acid is 184.02 g/mol.
Where can I buy 2-Phenylethenesulfonic acid?
You can request a quote for 2-Phenylethenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.