2-(Methylthio)-3-(trifluoromethyl)aniline
TL;DR: 2-(Methylthio)-3-(trifluoromethyl)aniline (CAS 256508-73-3) is a chemical compound with molecular formula C8H8F3NS and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3-(trifluoromethyl)aniline
Also Known As: 2-(Methylthio)-3-(trifluoromethyl)aniline, 3-Amino-2-(methylthio)benzotrifluoride, 2-methylsulfanyl-3-(trifluoromethyl)aniline, 2-methylthio-3-(trifluoromethyl)aniline, 2-(methylsulfanyl)-3-(trifluoromethyl)aniline
| Molecular Formula | C8H8F3NS |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 3.0095 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.03296 |
| Heavy Atoms | 13 |
| Complexity | 308.7477 |
Chemical Identifiers
| CAS Number | 256508-73-3 |
|---|---|
| SMILES | CSC1=C(C=CC=C1N)C(F)(F)F |
Product Overview
2-(Methylthio)-3-(trifluoromethyl)aniline (CAS 256508-73-3), with molecular formula C8H8F3NS and molecular weight 207.03 g/mol. IUPAC: 2-methylsulfanyl-3-(trifluoromethyl)aniline.
Chemical Property Profile of 2-(Methylthio)-3-(trifluoromethyl)aniline
Property Insights of 2-(Methylthio)-3-(trifluoromethyl)aniline
The XLogP value of 3.0095 indicates that 2-(Methylthio)-3-(trifluoromethyl)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, 2-(Methylthio)-3-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-3-(trifluoromethyl)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 2-(Methylthio)-3-(trifluoromethyl)aniline?
The CAS number of 2-(Methylthio)-3-(trifluoromethyl)aniline is 256508-73-3.
What is the molecular formula of 2-(Methylthio)-3-(trifluoromethyl)aniline?
The molecular formula of 2-(Methylthio)-3-(trifluoromethyl)aniline is C8H8F3NS.
What is the molecular weight of 2-(Methylthio)-3-(trifluoromethyl)aniline?
The molecular weight of 2-(Methylthio)-3-(trifluoromethyl)aniline is 207.03 g/mol.
Where can I buy 2-(Methylthio)-3-(trifluoromethyl)aniline?
You can request a quote for 2-(Methylthio)-3-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.