Ethanesulfonyl chloride
TL;DR: Ethanesulfonyl chloride (CAS 594-44-5) is a chemical compound with molecular formula C2H5ClO2S and molecular weight 127.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethanesulfonyl chloride
Also Known As: ETHANESULFONYL CHLORIDE, Ethylsulfonyl chloride, Ethylsulfochloride, 1-Ethanesulfonyl chloride, Ethanesulphonyl chloride
| Molecular Formula | C2H5ClO2S |
|---|---|
| Molecular Weight | 127.97 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.96988 |
| Heavy Atoms | 6 |
| Complexity | 108.0 |
| Boiling Point | 177.5 °C |
| Solubility | Soluble in carbon disulfide |
| Vapor Pressure | 1.29 [mmHg] |
| Refractive Index | 1.4531 at 20 °C |
Chemical Identifiers
| CAS Number | 594-44-5 |
|---|---|
| SMILES | CCS(=O)(=O)Cl |
| InChIKey | FRYHCSODNHYDPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanesulfonyl chloride (CAS 594-44-5), with molecular formula C2H5ClO2S and molecular weight 127.97 g/mol. IUPAC: ethanesulfonyl chloride.
Chemical Property Profile of Ethanesulfonyl chloride
Property Insights of Ethanesulfonyl chloride
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanesulfonyl chloride. With a topological polar surface area (TPSA) of 42.5 Ų, Ethanesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanesulfonyl chloride has 0 hydrogen bond donor(s) and 2 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 Ethanesulfonyl chloride?
The CAS number of Ethanesulfonyl chloride is 594-44-5.
What is the molecular formula of Ethanesulfonyl chloride?
The molecular formula of Ethanesulfonyl chloride is C2H5ClO2S.
What is the molecular weight of Ethanesulfonyl chloride?
The molecular weight of Ethanesulfonyl chloride is 127.97 g/mol.
Where can I buy Ethanesulfonyl chloride?
You can request a quote for Ethanesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.