2-Bromoethyl butyl sulfide
TL;DR: 2-Bromoethyl butyl sulfide (CAS 94500-19-3) is a chemical compound with molecular formula C6H13BrS and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethylsulfanyl)butane
Also Known As: bromoethyl butyl sulfide, 2-Bromoethyl butyl sulfide, Sulfide, 2-bromoethyl butyl, beta-Bromoethyl butyl sulfide, 1-(2-bromoethylsulfanyl)butane
| Molecular Formula | C6H13BrS |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 2.9146 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.99213 |
| Heavy Atoms | 8 |
| Complexity | 33.509773 |
Chemical Identifiers
| CAS Number | 94500-19-3 |
|---|---|
| SMILES | CCCCSCCBr |
Product Overview
2-Bromoethyl butyl sulfide (CAS 94500-19-3), with molecular formula C6H13BrS and molecular weight 195.99 g/mol. IUPAC: 1-(2-bromoethylsulfanyl)butane.
Chemical Property Profile of 2-Bromoethyl butyl sulfide
Property Insights of 2-Bromoethyl butyl sulfide
The XLogP value of 2.9146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoethyl butyl sulfide. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromoethyl butyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl butyl sulfide 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-Bromoethyl butyl sulfide?
The CAS number of 2-Bromoethyl butyl sulfide is 94500-19-3.
What is the molecular formula of 2-Bromoethyl butyl sulfide?
The molecular formula of 2-Bromoethyl butyl sulfide is C6H13BrS.
What is the molecular weight of 2-Bromoethyl butyl sulfide?
The molecular weight of 2-Bromoethyl butyl sulfide is 195.99 g/mol.
Where can I buy 2-Bromoethyl butyl sulfide?
You can request a quote for 2-Bromoethyl butyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl butyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl butyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.