乙磺酰氯
TL;DR: 乙磺酰氯 (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.
乙磺酰氯
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
乙磺酰氯 (CAS 594-44-5), with molecular formula C2H5ClO2S and molecular weight 127.97 g/mol. IUPAC: ethanesulfonyl chloride.
Chemical Property Profile of 乙磺酰氯
Property Insights of 乙磺酰氯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙磺酰氯. With a topological polar surface area (TPSA) of 42.5 Ų, 乙磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙磺酰氯 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 乙磺酰氯?
The CAS number of 乙磺酰氯 is 594-44-5.
What is the molecular formula of 乙磺酰氯?
The molecular formula of 乙磺酰氯 is C2H5ClO2S.
What is the molecular weight of 乙磺酰氯?
The molecular weight of 乙磺酰氯 is 127.97 g/mol.
Where can I buy 乙磺酰氯?
You can request a quote for 乙磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 乙磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.