![4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline structure](/static/products/3391/339104-66-4.webp)
4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline
TL;DR: 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline (CAS 339104-66-4) is a chemical compound with molecular formula C13H10F3NS and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)phenyl]sulfanylaniline
Also Known As: 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline, 4-[3-(trifluoromethyl)phenyl]sulfanylaniline, trifluoromethylphenylsulfanylaniline, 4-((3-(Trifluoromethyl)phenyl)thio)aniline, 0834AE
| Molecular Formula | C13H10F3NS |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 4.4388 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0486 |
| Heavy Atoms | 18 |
| Complexity | 534.6778 |
Chemical Identifiers
| CAS Number | 339104-66-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=CC=C(C=C2)N)C(F)(F)F |
Product Overview
4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline (CAS 339104-66-4), with molecular formula C13H10F3NS and molecular weight 269.05 g/mol. IUPAC: 4-[3-(trifluoromethyl)phenyl]sulfanylaniline.
Chemical Property Profile of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline
Property Insights of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline
The XLogP value of 4.4388 indicates that 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline has 1 hydrogen bond donor(s) and 2 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-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline?
The CAS number of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline is 339104-66-4.
What is the molecular formula of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline?
The molecular formula of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline is C13H10F3NS.
What is the molecular weight of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline?
The molecular weight of 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline is 269.05 g/mol.
Where can I buy 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline?
You can request a quote for 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(Trifluoromethyl)phenyl]sulfanyl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.