6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one
TL;DR: 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one (CAS 53542-37-3) is a chemical compound with molecular formula C14H6F4OS and molecular weight 298.00754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-fluoro-2-(trifluoromethyl)thioxanthen-9-one
Also Known As: 6-Fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one, 6-fluoro-2-(trifluoromethyl)thioxanthen-9-one, 6-fluoro-2-9h-thioxanthen-9-one, 6-fluoro-2- -9H-thioxanthen-9-one, 9H-Thioxanthen-9-one,6-fluoro-2-(trifluoromethyl)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H6F4OS |
| Molecular Weight | 298.00754 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.00754 Da |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
| SMILES | C1=CC2=C(C=C1C(F)(F)F)C(=O)C3=C(S2)C=C(C=C3)F |
| InChIKey | ZDGGCIXEWFPFAH-UHFFFAOYSA-N |
Chemical Property Profile of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one
Property Insights of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one
The XLogP value of 4.5 indicates that 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one?
The CAS number of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one is 53542-37-3.
What is the molecular formula of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one?
The molecular formula of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one is C14H6F4OS.
What is the molecular weight of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one?
The molecular weight of 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one is 298.00754 g/mol.
Where can I buy 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one?
You can request a quote for 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one?
Yes, CoreyChem provides custom synthesis services for 6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.