3-(Trifluoromethyl)benzenethiol
TL;DR: 3-(Trifluoromethyl)benzenethiol (CAS 1314938-32-3) is a chemical compound with molecular formula C7H5F3S and molecular weight 178.00641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(trifluoromethyl)benzenethiol
Also Known As: 3-(Trifluoromethyl)thiophenol, 3-(trifluoromethyl)benzenethiol, m-Trifluoromethylthiophenol, 3-Trifluoromethylthiophenol, 3-(trifluoromethyl)benzene-1-thiol
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5F3S |
| Molecular Weight | 178.00641 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.00641 Da |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| SMILES | C1=CC(=CC(=C1)S)C(F)(F)F |
| InChIKey | SCURCOWZQJIUGR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Trifluoromethyl)benzenethiol
Property Insights of 3-(Trifluoromethyl)benzenethiol
The XLogP value of 3.5 indicates that 3-(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, 3-(Trifluoromethyl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)benzenethiol 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
What is the CAS number of 3-(Trifluoromethyl)benzenethiol?
The CAS number of 3-(Trifluoromethyl)benzenethiol is 1314938-32-3.
What is the molecular formula of 3-(Trifluoromethyl)benzenethiol?
The molecular formula of 3-(Trifluoromethyl)benzenethiol is C7H5F3S.
What is the molecular weight of 3-(Trifluoromethyl)benzenethiol?
The molecular weight of 3-(Trifluoromethyl)benzenethiol is 178.00641 g/mol.
Where can I buy 3-(Trifluoromethyl)benzenethiol?
You can request a quote for 3-(Trifluoromethyl)benzenethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Trifluoromethyl)benzenethiol?
Yes, CoreyChem provides custom synthesis services for 3-(Trifluoromethyl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.