4-Fluorophenyl trifluoromethyl sulphide
TL;DR: 4-Fluorophenyl trifluoromethyl sulphide (CAS 940-76-1) is a chemical compound with molecular formula C7H4F4S and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-(trifluoromethylsulfanyl)benzene
Also Known As: 1-Fluoro-4-(trifluoromethylthio)benzene, 4-Fluorophenyl trifluoromethyl sulphide, 1-fluoro-4-[(trifluoromethyl)sulfanyl]benzene, 1-fluoro-4-(trifluoromethylsulfanyl)benzene, trifluoro(4-fluorophenylthio)methane
| Molecular Formula | C7H4F4S |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.99698 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 940-76-1 |
|---|---|
| SMILES | C1=CC(=CC=C1F)SC(F)(F)F |
| InChIKey | BTKQCAUEXFTVNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorophenyl trifluoromethyl sulphide (CAS 940-76-1), with molecular formula C7H4F4S and molecular weight 196.00 g/mol. IUPAC: 1-fluoro-4-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of 4-Fluorophenyl trifluoromethyl sulphide
Property Insights of 4-Fluorophenyl trifluoromethyl sulphide
The XLogP value of 3.7 indicates that 4-Fluorophenyl trifluoromethyl sulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 4-Fluorophenyl trifluoromethyl sulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl trifluoromethyl sulphide has 0 hydrogen bond donor(s) and 5 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-Fluorophenyl trifluoromethyl sulphide?
The CAS number of 4-Fluorophenyl trifluoromethyl sulphide is 940-76-1.
What is the molecular formula of 4-Fluorophenyl trifluoromethyl sulphide?
The molecular formula of 4-Fluorophenyl trifluoromethyl sulphide is C7H4F4S.
What is the molecular weight of 4-Fluorophenyl trifluoromethyl sulphide?
The molecular weight of 4-Fluorophenyl trifluoromethyl sulphide is 196.00 g/mol.
Where can I buy 4-Fluorophenyl trifluoromethyl sulphide?
You can request a quote for 4-Fluorophenyl trifluoromethyl sulphide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl trifluoromethyl sulphide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl trifluoromethyl sulphide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.