2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate
TL;DR: 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate (CAS 459197-46-7) is a chemical compound with molecular formula C10H7F3N2O6S and molecular weight 340.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2-(2,4-dinitrophenyl)sulfanylacetate
Also Known As: 2,2,2-trifluoroethyl 2-(2,4-dinitrophenylthio)acetate, 2,2,2-trifluoroethyl 2-(2,4-dinitrophenyl)sulfanylacetate, AB00685756-01, F1209-0116, 2,2,2-trifluoroethyl (2,4-dinitrophenylthio)acetate
| Molecular Formula | C10H7F3N2O6S |
|---|---|
| Molecular Weight | 340.00 g/mol |
| LogP | 2.7006 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.99768 |
| Heavy Atoms | 22 |
| Complexity | 606.81494 |
Chemical Identifiers
| CAS Number | 459197-46-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate (CAS 459197-46-7), with molecular formula C10H7F3N2O6S and molecular weight 340.00 g/mol. IUPAC: 2,2,2-trifluoroethyl 2-(2,4-dinitrophenyl)sulfanylacetate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate
Property Insights of 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate
The XLogP value of 2.7006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate has 0 hydrogen bond donor(s) and 7 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 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate?
The CAS number of 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate is 459197-46-7.
What is the molecular formula of 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate?
The molecular formula of 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate is C10H7F3N2O6S.
What is the molecular weight of 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate?
The molecular weight of 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate is 340.00 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate?
You can request a quote for 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 2-(2,4-dinitrophenylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.