4-(Trifluoromethyl)thiophenol
TL;DR: 4-(Trifluoromethyl)thiophenol (CAS 25-83-2) is a chemical compound with molecular formula C7H5F3S and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethyl)benzenethiol
Also Known As: 4-(Trifluoromethyl)thiophenol, 4-(trifluoromethyl)benzenethiol, 4-Trifluoromethyl thiophenol, 4-(trifluoromethyl)benzene-1-thiol, 4-Mercaptobenzotrifluoride
| Molecular Formula | C7H5F3S |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.00641 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 25-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)S |
| InChIKey | WCMLRSZJUIKVCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)thiophenol (CAS 25-83-2), with molecular formula C7H5F3S and molecular weight 178.01 g/mol. IUPAC: 4-(trifluoromethyl)benzenethiol.
Chemical Property Profile of 4-(Trifluoromethyl)thiophenol
Property Insights of 4-(Trifluoromethyl)thiophenol
The XLogP value of 3.3 indicates that 4-(Trifluoromethyl)thiophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 4-(Trifluoromethyl)thiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)thiophenol has 1 hydrogen bond donor(s) and 4 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-(Trifluoromethyl)thiophenol?
The CAS number of 4-(Trifluoromethyl)thiophenol is 25-83-2.
What is the molecular formula of 4-(Trifluoromethyl)thiophenol?
The molecular formula of 4-(Trifluoromethyl)thiophenol is C7H5F3S.
What is the molecular weight of 4-(Trifluoromethyl)thiophenol?
The molecular weight of 4-(Trifluoromethyl)thiophenol is 178.01 g/mol.
Where can I buy 4-(Trifluoromethyl)thiophenol?
You can request a quote for 4-(Trifluoromethyl)thiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)thiophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.