2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol
TL;DR: 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol (CAS 175203-42-6) is a chemical compound with molecular formula C7HF7S and molecular weight 249.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiol
Also Known As: 4-Trifluoromethyl-2,3,5,6-tetrafluorothiophenol, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol, Perfluoro-p-thiocresol, 4-(Trifluoromethyl)tetrafluorothiophenol, Tetrafluoro-4-(trifluoromethyl)thiophenol
| Molecular Formula | C7HF7S |
|---|---|
| Molecular Weight | 249.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.96872 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 175203-42-6 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)S)F)F)C(F)(F)F |
| InChIKey | BXMOMKVOHOSVJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol (CAS 175203-42-6), with molecular formula C7HF7S and molecular weight 249.97 g/mol. IUPAC: 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenethiol.
Chemical Property Profile of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol
Property Insights of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol
The XLogP value of 3.4 indicates that 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol has 1 hydrogen bond donor(s) and 8 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 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol?
The CAS number of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol is 175203-42-6.
What is the molecular formula of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol?
The molecular formula of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol is C7HF7S.
What is the molecular weight of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol?
The molecular weight of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol is 249.97 g/mol.
Where can I buy 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol?
You can request a quote for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.