4-Fluorobutyl thiocyanate
TL;DR: 4-Fluorobutyl thiocyanate (CAS 353-17-3) is a chemical compound with molecular formula C5H8FNS and molecular weight 133.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluorobutyl thiocyanate
Also Known As: 4-Fluorobutyl thiocyanate, 4-fluoro-butyl thiocyanate, Thiocyanic acid, 4-fluorobutyl ester, 1-fluoro-4-thiocyanatobutane, [(4-fluorobutyl)sulfanyl]carbonitrile
| Molecular Formula | C5H8FNS |
|---|---|
| Molecular Weight | 133.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 133.03615 |
| Heavy Atoms | 8 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 353-17-3 |
|---|---|
| SMILES | C(CCSC#N)CF |
| InChIKey | WJNNTTIXPJJQJD-UHFFFAOYSA-N |
Product Overview
4-Fluorobutyl thiocyanate (CAS 353-17-3), with molecular formula C5H8FNS and molecular weight 133.04 g/mol. IUPAC: 4-fluorobutyl thiocyanate.
Chemical Property Profile of 4-Fluorobutyl thiocyanate
Property Insights of 4-Fluorobutyl thiocyanate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobutyl thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, 4-Fluorobutyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobutyl thiocyanate has 0 hydrogen bond donor(s) and 3 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-Fluorobutyl thiocyanate?
The CAS number of 4-Fluorobutyl thiocyanate is 353-17-3.
What is the molecular formula of 4-Fluorobutyl thiocyanate?
The molecular formula of 4-Fluorobutyl thiocyanate is C5H8FNS.
What is the molecular weight of 4-Fluorobutyl thiocyanate?
The molecular weight of 4-Fluorobutyl thiocyanate is 133.04 g/mol.
Where can I buy 4-Fluorobutyl thiocyanate?
You can request a quote for 4-Fluorobutyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobutyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobutyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.