Perfluorodithioacetic acid ethylester
TL;DR: Perfluorodithioacetic acid ethylester (CAS 815-44-1) is a chemical compound with molecular formula C4H5F3S2 and molecular weight 173.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2,2-trifluoroethanedithioate
Also Known As: perfluorodithioacetic acid ethylester, ethyl 2,2,2-trifluoroethanedithioate, Trifluorodithioacetic acid ethyl ester, 1-ethylsulfanyl-2,2,2-trifluoro-ethanethione
| Molecular Formula | C4H5F3S2 |
|---|---|
| Molecular Weight | 173.98 g/mol |
| LogP | 2.6292 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.97847 |
| Heavy Atoms | 9 |
| Complexity | 106.8706 |
Chemical Identifiers
| CAS Number | 815-44-1 |
|---|---|
| SMILES | CCSC(=S)C(F)(F)F |
Product Overview
Perfluorodithioacetic acid ethylester (CAS 815-44-1), with molecular formula C4H5F3S2 and molecular weight 173.98 g/mol. IUPAC: ethyl 2,2,2-trifluoroethanedithioate.
Chemical Property Profile of Perfluorodithioacetic acid ethylester
Property Insights of Perfluorodithioacetic acid ethylester
The XLogP value of 2.6292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perfluorodithioacetic acid ethylester. With a topological polar surface area (TPSA) of 0.0 Ų, Perfluorodithioacetic acid ethylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluorodithioacetic acid ethylester 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 Perfluorodithioacetic acid ethylester?
The CAS number of Perfluorodithioacetic acid ethylester is 815-44-1.
What is the molecular formula of Perfluorodithioacetic acid ethylester?
The molecular formula of Perfluorodithioacetic acid ethylester is C4H5F3S2.
What is the molecular weight of Perfluorodithioacetic acid ethylester?
The molecular weight of Perfluorodithioacetic acid ethylester is 173.98 g/mol.
Where can I buy Perfluorodithioacetic acid ethylester?
You can request a quote for Perfluorodithioacetic acid ethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluorodithioacetic acid ethylester?
Yes, KEHONG BIO provides custom synthesis services for Perfluorodithioacetic acid ethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.