1-Chloro-2-(2-chloroethanesulfinyl)ethane
TL;DR: 1-Chloro-2-(2-chloroethanesulfinyl)ethane (CAS 5819-08-9) is a chemical compound with molecular formula C4H8Cl2OS and molecular weight 173.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-(2-chloroethylsulfinyl)ethane
Also Known As: H sulfoxide, Yperite sulfoxide, Mustard sulfone, Bis(2-chloroethyl) sulfoxide, MUSTARDSULPHOXIDE
| Molecular Formula | C4H8Cl2OS |
|---|---|
| Molecular Weight | 173.97 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.96729 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 5819-08-9 |
|---|---|
| SMILES | C(CCl)S(=O)CCCl |
| InChIKey | NOMHBBFEJSVGSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2-(2-chloroethanesulfinyl)ethane (CAS 5819-08-9), with molecular formula C4H8Cl2OS and molecular weight 173.97 g/mol. IUPAC: 1-chloro-2-(2-chloroethylsulfinyl)ethane.
Chemical Property Profile of 1-Chloro-2-(2-chloroethanesulfinyl)ethane
Property Insights of 1-Chloro-2-(2-chloroethanesulfinyl)ethane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2-(2-chloroethanesulfinyl)ethane. With a topological polar surface area (TPSA) of 36.3 Ų, 1-Chloro-2-(2-chloroethanesulfinyl)ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(2-chloroethanesulfinyl)ethane 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 1-Chloro-2-(2-chloroethanesulfinyl)ethane?
The CAS number of 1-Chloro-2-(2-chloroethanesulfinyl)ethane is 5819-08-9.
What is the molecular formula of 1-Chloro-2-(2-chloroethanesulfinyl)ethane?
The molecular formula of 1-Chloro-2-(2-chloroethanesulfinyl)ethane is C4H8Cl2OS.
What is the molecular weight of 1-Chloro-2-(2-chloroethanesulfinyl)ethane?
The molecular weight of 1-Chloro-2-(2-chloroethanesulfinyl)ethane is 173.97 g/mol.
Where can I buy 1-Chloro-2-(2-chloroethanesulfinyl)ethane?
You can request a quote for 1-Chloro-2-(2-chloroethanesulfinyl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-(2-chloroethanesulfinyl)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-(2-chloroethanesulfinyl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.