4'-Thiomethyl-2,2,2-trifluoroacetophenone
TL;DR: 4'-Thiomethyl-2,2,2-trifluoroacetophenone (CAS 122243-33-8) is a chemical compound with molecular formula C9H7F3OS and molecular weight 220.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanone
Also Known As: 4'-thiomethyl-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanone, 4'-Methylthio-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(4-(methylthio)phenyl)ethanone, Ethanone, 2,2,2-trifluoro-1-[4-(methylthio)phenyl]- (9CI)
| Molecular Formula | C9H7F3OS |
|---|---|
| Molecular Weight | 220.02 g/mol |
| LogP | 3.1535 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.01697 |
| Heavy Atoms | 14 |
| Complexity | 328.90546 |
Chemical Identifiers
| CAS Number | 122243-33-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)C(F)(F)F |
Product Overview
4'-Thiomethyl-2,2,2-trifluoroacetophenone (CAS 122243-33-8), with molecular formula C9H7F3OS and molecular weight 220.02 g/mol. IUPAC: 2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethanone.
Chemical Property Profile of 4'-Thiomethyl-2,2,2-trifluoroacetophenone
Property Insights of 4'-Thiomethyl-2,2,2-trifluoroacetophenone
The XLogP value of 3.1535 indicates that 4'-Thiomethyl-2,2,2-trifluoroacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4'-Thiomethyl-2,2,2-trifluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Thiomethyl-2,2,2-trifluoroacetophenone 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 4'-Thiomethyl-2,2,2-trifluoroacetophenone?
The CAS number of 4'-Thiomethyl-2,2,2-trifluoroacetophenone is 122243-33-8.
What is the molecular formula of 4'-Thiomethyl-2,2,2-trifluoroacetophenone?
The molecular formula of 4'-Thiomethyl-2,2,2-trifluoroacetophenone is C9H7F3OS.
What is the molecular weight of 4'-Thiomethyl-2,2,2-trifluoroacetophenone?
The molecular weight of 4'-Thiomethyl-2,2,2-trifluoroacetophenone is 220.02 g/mol.
Where can I buy 4'-Thiomethyl-2,2,2-trifluoroacetophenone?
You can request a quote for 4'-Thiomethyl-2,2,2-trifluoroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Thiomethyl-2,2,2-trifluoroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Thiomethyl-2,2,2-trifluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.