3'-(Trifluoromethylthio)acetophenone
TL;DR: 3'-(Trifluoromethylthio)acetophenone (CAS 56773-33-2) 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.
1-[3-(trifluoromethylsulfanyl)phenyl]ethanone
Also Known As: 3'-(Trifluoromethylthio)acetophenone, 1-(3-((Trifluoromethyl)thio)phenyl)ethanone, 3'- ACETOPHENONE, 1-[3-(trifluoromethylsulfanyl)phenyl]ethanone, 3-(TRIFLUOROMETHYLTHIO)ACETOPHENONE
| Molecular Formula | C9H7F3OS |
|---|---|
| Molecular Weight | 220.02 g/mol |
| LogP | 3.5011 |
| 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 | 346.15546 |
Chemical Identifiers
| CAS Number | 56773-33-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)SC(F)(F)F |
Product Overview
3'-(Trifluoromethylthio)acetophenone (CAS 56773-33-2), with molecular formula C9H7F3OS and molecular weight 220.02 g/mol. IUPAC: 1-[3-(trifluoromethylsulfanyl)phenyl]ethanone.
Chemical Property Profile of 3'-(Trifluoromethylthio)acetophenone
Property Insights of 3'-(Trifluoromethylthio)acetophenone
The XLogP value of 3.5011 indicates that 3'-(Trifluoromethylthio)acetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3'-(Trifluoromethylthio)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-(Trifluoromethylthio)acetophenone 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 3'-(Trifluoromethylthio)acetophenone?
The CAS number of 3'-(Trifluoromethylthio)acetophenone is 56773-33-2.
What is the molecular formula of 3'-(Trifluoromethylthio)acetophenone?
The molecular formula of 3'-(Trifluoromethylthio)acetophenone is C9H7F3OS.
What is the molecular weight of 3'-(Trifluoromethylthio)acetophenone?
The molecular weight of 3'-(Trifluoromethylthio)acetophenone is 220.02 g/mol.
Where can I buy 3'-(Trifluoromethylthio)acetophenone?
You can request a quote for 3'-(Trifluoromethylthio)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(Trifluoromethylthio)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-(Trifluoromethylthio)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.