4-Bromobutyl thiocyanate
TL;DR: 4-Bromobutyl thiocyanate (CAS 59216-15-8) is a chemical compound with molecular formula C5H8BrNS and molecular weight 192.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobutyl thiocyanate
Also Known As: 4-bromobutyl thiocyanate, 1-(Cyanothio)-4-bromobutane, [(4-bromobutyl)sulfanyl]carbonitrile, J2.213.617H
| Molecular Formula | C5H8BrNS |
|---|---|
| Molecular Weight | 192.96 g/mol |
| LogP | 2.37578 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.95609 |
| Heavy Atoms | 8 |
| Complexity | 78.98808 |
Chemical Identifiers
| CAS Number | 59216-15-8 |
|---|---|
| SMILES | C(CCBr)CSC#N |
Product Overview
4-Bromobutyl thiocyanate (CAS 59216-15-8), with molecular formula C5H8BrNS and molecular weight 192.96 g/mol. IUPAC: 4-bromobutyl thiocyanate.
Chemical Property Profile of 4-Bromobutyl thiocyanate
Property Insights of 4-Bromobutyl thiocyanate
The XLogP value of 2.37578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromobutyl thiocyanate. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Bromobutyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobutyl thiocyanate 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 4-Bromobutyl thiocyanate?
The CAS number of 4-Bromobutyl thiocyanate is 59216-15-8.
What is the molecular formula of 4-Bromobutyl thiocyanate?
The molecular formula of 4-Bromobutyl thiocyanate is C5H8BrNS.
What is the molecular weight of 4-Bromobutyl thiocyanate?
The molecular weight of 4-Bromobutyl thiocyanate is 192.96 g/mol.
Where can I buy 4-Bromobutyl thiocyanate?
You can request a quote for 4-Bromobutyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobutyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobutyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.