Isethionic Acid
TL;DR: Isethionic Acid (CAS 107-36-8) is a chemical compound with molecular formula C2H6O4S and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethanesulfonic acid
Also Known As: ISETHIONIC ACID, 2-Hydroxyethanesulfonic acid, 2-Hydroxyethanesulphonic acid, Isethionate, Ethanolsulfonic acid
| Molecular Formula | C2H6O4S |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.99868 |
| Heavy Atoms | 7 |
| Complexity | 117.0 |
| Melting Point | < 25 °C |
| Solubility | 1000 mg/mL |
Chemical Identifiers
| CAS Number | 107-36-8 |
|---|---|
| SMILES | C(CS(=O)(=O)O)O |
| InChIKey | SUMDYPCJJOFFON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isethionic Acid (CAS 107-36-8), with molecular formula C2H6O4S and molecular weight 126.00 g/mol. IUPAC: 2-hydroxyethanesulfonic acid.
Chemical Property Profile of Isethionic Acid
Property Insights of Isethionic Acid
The XLogP value of -1.6 indicates that Isethionic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isethionic Acid. Following Lipinski's Rule of Five, Isethionic Acid has 2 hydrogen bond donor(s) and 4 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 Isethionic Acid?
The CAS number of Isethionic Acid is 107-36-8.
What is the molecular formula of Isethionic Acid?
The molecular formula of Isethionic Acid is C2H6O4S.
What is the molecular weight of Isethionic Acid?
The molecular weight of Isethionic Acid is 126.00 g/mol.
Where can I buy Isethionic Acid?
You can request a quote for Isethionic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isethionic Acid?
Yes, KEHONG BIO provides custom synthesis services for Isethionic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.