4-((Trifluoromethyl)thio)aniline
TL;DR: 4-((Trifluoromethyl)thio)aniline (CAS 372-16-7) is a chemical compound with molecular formula C7H6F3NS and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethylsulfanyl)aniline
Also Known As: 4-(Trifluoromethylthio)aniline, 4-((Trifluoromethyl)thio)aniline, Trifluoromethylthio)aniline, 4-Aminophenyl trifluoromethyl sulfide, 4-(trifluoromethylsulfanyl)aniline
| Molecular Formula | C7H6F3NS |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0173 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
| Solubility | 6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 372-16-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SC(F)(F)F |
| InChIKey | OHHHTUXVBNGOGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((Trifluoromethyl)thio)aniline (CAS 372-16-7), with molecular formula C7H6F3NS and molecular weight 193.02 g/mol. IUPAC: 4-(trifluoromethylsulfanyl)aniline.
Chemical Property Profile of 4-((Trifluoromethyl)thio)aniline
Property Insights of 4-((Trifluoromethyl)thio)aniline
The XLogP value of 3.0 indicates that 4-((Trifluoromethyl)thio)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 4-((Trifluoromethyl)thio)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((Trifluoromethyl)thio)aniline has 1 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-((Trifluoromethyl)thio)aniline?
The CAS number of 4-((Trifluoromethyl)thio)aniline is 372-16-7.
What is the molecular formula of 4-((Trifluoromethyl)thio)aniline?
The molecular formula of 4-((Trifluoromethyl)thio)aniline is C7H6F3NS.
What is the molecular weight of 4-((Trifluoromethyl)thio)aniline?
The molecular weight of 4-((Trifluoromethyl)thio)aniline is 193.02 g/mol.
Where can I buy 4-((Trifluoromethyl)thio)aniline?
You can request a quote for 4-((Trifluoromethyl)thio)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Trifluoromethyl)thio)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-((Trifluoromethyl)thio)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.