2-Fluoroethyl xanthate
TL;DR: 2-Fluoroethyl xanthate (CAS 64057-80-3) is a chemical compound with molecular formula C5H9FOS2 and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-fluoroethyl) ethylsulfanylmethanethioate
Also Known As: 2-Fluoroethyl xanthate, 2-Fluoroethyldithiocarbonic acid ethyl ether, Xanthic acid, O-ethyl S-(2-fluoroethyl) ester, S-Ethyl O-(2-fluoroethyl) carbonodithioate, O-(2-fluoroethyl) ethylsulfanylmethanethioate
| Molecular Formula | C5H9FOS2 |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.00789 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 64057-80-3 |
|---|---|
| SMILES | CCSC(=S)OCCF |
| InChIKey | QVBVFIVWNWMLMP-UHFFFAOYSA-N |
Product Overview
2-Fluoroethyl xanthate (CAS 64057-80-3), with molecular formula C5H9FOS2 and molecular weight 168.01 g/mol. IUPAC: O-(2-fluoroethyl) ethylsulfanylmethanethioate.
Chemical Property Profile of 2-Fluoroethyl xanthate
Property Insights of 2-Fluoroethyl xanthate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoroethyl xanthate. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoroethyl xanthate. Following Lipinski's Rule of Five, 2-Fluoroethyl xanthate has 0 hydrogen bond donor(s) and 4 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 xanthate?
The CAS number of 2-Fluoroethyl xanthate is 64057-80-3.
What is the molecular formula of 2-Fluoroethyl xanthate?
The molecular formula of 2-Fluoroethyl xanthate is C5H9FOS2.
What is the molecular weight of 2-Fluoroethyl xanthate?
The molecular weight of 2-Fluoroethyl xanthate is 168.01 g/mol.
Where can I buy 2-Fluoroethyl xanthate?
You can request a quote for 2-Fluoroethyl xanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoroethyl xanthate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoroethyl xanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.