2-((2-Chloroethyl)thio)butane
TL;DR: 2-((2-Chloroethyl)thio)butane (CAS 20818-34-2) is a chemical compound with molecular formula C6H13ClS and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)butane
Also Known As: 2-Chloroethyl-sec-butyl sulfide, 2-(2-chloroethylsulfanyl)butane, Sulfide, sec-butyl 2-chloroethyl, 2-Chloroethyl sec-butyl sulfide, 2-((2-Chloroethyl)thio)butane
| Molecular Formula | C6H13ClS |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.04265 |
| Heavy Atoms | 8 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 20818-34-2 |
|---|---|
| SMILES | CCC(C)SCCCl |
| InChIKey | SZWKDLZVWXCJGZ-UHFFFAOYSA-N |
Product Overview
2-((2-Chloroethyl)thio)butane (CAS 20818-34-2), with molecular formula C6H13ClS and molecular weight 152.04 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)butane.
Chemical Property Profile of 2-((2-Chloroethyl)thio)butane
Property Insights of 2-((2-Chloroethyl)thio)butane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Chloroethyl)thio)butane. With a topological polar surface area (TPSA) of 25.3 Ų, 2-((2-Chloroethyl)thio)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chloroethyl)thio)butane has 0 hydrogen bond donor(s) and 1 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 2-((2-Chloroethyl)thio)butane?
The CAS number of 2-((2-Chloroethyl)thio)butane is 20818-34-2.
What is the molecular formula of 2-((2-Chloroethyl)thio)butane?
The molecular formula of 2-((2-Chloroethyl)thio)butane is C6H13ClS.
What is the molecular weight of 2-((2-Chloroethyl)thio)butane?
The molecular weight of 2-((2-Chloroethyl)thio)butane is 152.04 g/mol.
Where can I buy 2-((2-Chloroethyl)thio)butane?
You can request a quote for 2-((2-Chloroethyl)thio)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Chloroethyl)thio)butane?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chloroethyl)thio)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.