4-(Trifluoromethyl)benzenethiolate
TL;DR: 4-(Trifluoromethyl)benzenethiolate (CAS 825-83-2) is a chemical compound with molecular formula C7H4F3S- and molecular weight 177.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethyl)benzenethiolate
Also Known As: 4-(trifluoromethyl)benzenethiolate
| Molecular Formula | C7H4F3S- |
|---|---|
| Molecular Weight | 177.00 g/mol |
| LogP | 2.6112 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.99858 |
| Heavy Atoms | 11 |
| Complexity | 236.85776 |
Chemical Identifiers
| CAS Number | 825-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)[S-] |
Product Overview
4-(Trifluoromethyl)benzenethiolate (CAS 825-83-2), with molecular formula C7H4F3S- and molecular weight 177.00 g/mol. IUPAC: 4-(trifluoromethyl)benzenethiolate.
Chemical Property Profile of 4-(Trifluoromethyl)benzenethiolate
Property Insights of 4-(Trifluoromethyl)benzenethiolate
The XLogP value of 2.6112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)benzenethiolate. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(Trifluoromethyl)benzenethiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)benzenethiolate has 0 hydrogen bond donor(s) and 1 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)benzenethiolate?
The CAS number of 4-(Trifluoromethyl)benzenethiolate is 825-83-2.
What is the molecular formula of 4-(Trifluoromethyl)benzenethiolate?
The molecular formula of 4-(Trifluoromethyl)benzenethiolate is C7H4F3S-.
What is the molecular weight of 4-(Trifluoromethyl)benzenethiolate?
The molecular weight of 4-(Trifluoromethyl)benzenethiolate is 177.00 g/mol.
Where can I buy 4-(Trifluoromethyl)benzenethiolate?
You can request a quote for 4-(Trifluoromethyl)benzenethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)benzenethiolate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)benzenethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.