2-Fluoroethyl thiocyanate
TL;DR: 2-Fluoroethyl thiocyanate (CAS 505-13-5) is a chemical compound with molecular formula C3H4FNS and molecular weight 105.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroethyl thiocyanate
Also Known As: 2-Fluoroethyl thiocyanate, Thiocyanicacid2-fluoroethylester, Thiocyanic acid, 2-fluoroethyl ester, [(2-fluoroethyl)sulfanyl]carbonitrile, THIOCYANIC ACID 2-FLUOROETHYL ESTER
| Molecular Formula | C3H4FNS |
|---|---|
| Molecular Weight | 105.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 105.004845 |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 505-13-5 |
|---|---|
| SMILES | C(CSC#N)F |
| InChIKey | YCDXXCPZKJPBTE-UHFFFAOYSA-N |
Product Overview
2-Fluoroethyl thiocyanate (CAS 505-13-5), with molecular formula C3H4FNS and molecular weight 105.00 g/mol. IUPAC: 2-fluoroethyl thiocyanate.
Chemical Property Profile of 2-Fluoroethyl thiocyanate
Property Insights of 2-Fluoroethyl thiocyanate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoroethyl thiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, 2-Fluoroethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoroethyl 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 2-Fluoroethyl thiocyanate?
The CAS number of 2-Fluoroethyl thiocyanate is 505-13-5.
What is the molecular formula of 2-Fluoroethyl thiocyanate?
The molecular formula of 2-Fluoroethyl thiocyanate is C3H4FNS.
What is the molecular weight of 2-Fluoroethyl thiocyanate?
The molecular weight of 2-Fluoroethyl thiocyanate is 105.00 g/mol.
Where can I buy 2-Fluoroethyl thiocyanate?
You can request a quote for 2-Fluoroethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoroethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoroethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.