Alpha-chloroethane sulfonic acid
TL;DR: Alpha-chloroethane sulfonic acid (CAS 116277-82-8) is a chemical compound with molecular formula C2H4ClNaO3S and molecular weight 165.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-chloroethanesulfonate
Also Known As: sodium 1-chloroethane-1-sulfonate, Alpha-chloroethane sulfonic acid, sodium;1-chloroethanesulfonate, sodium 1-chloroethanesulfonate, sodium chloroethanesulfonate
| Molecular Formula | C2H4ClNaO3S |
|---|---|
| Molecular Weight | 165.95 g/mol |
| LogP | -2.8796 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.94673 |
| Heavy Atoms | 8 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 116277-82-8 |
|---|---|
| SMILES | CC(S(=O)(=O)[O-])Cl.[Na+] |
| InChIKey | AKTHLFYZKHPYBY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-chloroethane sulfonic acid (CAS 116277-82-8), with molecular formula C2H4ClNaO3S and molecular weight 165.95 g/mol. IUPAC: sodium 1-chloroethanesulfonate.
Chemical Property Profile of Alpha-chloroethane sulfonic acid
Property Insights of Alpha-chloroethane sulfonic acid
The XLogP value of -2.8796 indicates that Alpha-chloroethane sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alpha-chloroethane sulfonic acid. Following Lipinski's Rule of Five, Alpha-chloroethane sulfonic acid has 0 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 Alpha-chloroethane sulfonic acid?
The CAS number of Alpha-chloroethane sulfonic acid is 116277-82-8.
What is the molecular formula of Alpha-chloroethane sulfonic acid?
The molecular formula of Alpha-chloroethane sulfonic acid is C2H4ClNaO3S.
What is the molecular weight of Alpha-chloroethane sulfonic acid?
The molecular weight of Alpha-chloroethane sulfonic acid is 165.95 g/mol.
Where can I buy Alpha-chloroethane sulfonic acid?
You can request a quote for Alpha-chloroethane sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-chloroethane sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Alpha-chloroethane sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.