Isethionic Acid
TL;DR: Isethionic Acid (CAS 107-36-8) is a chemical compound with molecular formula C2H6O4S and molecular weight 125.99868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
羟乙磺酸
2-hydroxyethanesulfonic acid
Also Known As: ISETHIONIC ACID, 2-Hydroxyethanesulfonic acid, 2-Hydroxyethanesulphonic acid, Isethionate, Ethanolsulfonic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H6O4S |
| Molecular Weight | 125.99868 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.99868 Da |
| Heavy Atoms | 7 |
| Complexity | 117.0 |
| Melting Point | < 25 °C |
| Solubility | 1000 mg/mL |
| SMILES | C(CS(=O)(=O)O)O |
| InChIKey | SUMDYPCJJOFFON-UHFFFAOYSA-N |
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
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 125.99868 g/mol.
Where can I buy Isethionic Acid?
You can request a quote for Isethionic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isethionic Acid?
Yes, CoreyChem provides custom synthesis services for Isethionic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.