![4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline structure](/static/products/3383/338398-58-6.webp)
4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline
TL;DR: 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline (CAS 338398-58-6) is a chemical compound with molecular formula C14H12F3NS and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]aniline
Also Known As: 3-(4-Aminobenzylthio)benzotrifluoride, 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)-aniline, 2H-401S, 4-(((3-(Trifluoromethyl)phenyl)thio)methyl)aniline, 4-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)aniline
| Molecular Formula | C14H12F3NS |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 4.5799 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.06427 |
| Heavy Atoms | 19 |
| Complexity | 549.3627 |
Chemical Identifiers
| CAS Number | 338398-58-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCC2=CC=C(C=C2)N)C(F)(F)F |
Product Overview
4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline (CAS 338398-58-6), with molecular formula C14H12F3NS and molecular weight 283.06 g/mol. IUPAC: 4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]aniline.
Chemical Property Profile of 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline
Property Insights of 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline
The XLogP value of 4.5799 indicates that 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)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}methyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)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}methyl)aniline?
The CAS number of 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline is 338398-58-6.
What is the molecular formula of 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline?
The molecular formula of 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline is C14H12F3NS.
What is the molecular weight of 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline?
The molecular weight of 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline is 283.06 g/mol.
Where can I buy 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline?
You can request a quote for 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)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}methyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-({[3-(Trifluoromethyl)phenyl]sulfanyl}methyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.