![2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine structure](/static/products/626/62639-14-9.png)
2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine
TL;DR: 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine (CAS 62639-14-9) is a chemical compound with molecular formula C9H10F3NS and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylsulfanylmethyl)-4-(trifluoromethyl)aniline
Also Known As: 2-[(methylthio)methyl]-4-(trifluoromethyl)benzenamine, alpha-methylthio-4-trifluoromethyl-o-toluidine, 2-(methylsulfanylmethyl)-4-(trifluoromethyl)aniline, 2-((methylthio)methyl)-4-(trifluoromethyl)aniline, 2-[(methylthio)methyl]4-(trifluoromethyl)benzenamine
| Molecular Formula | C9H10F3NS |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 3.1506 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.0486 |
| Heavy Atoms | 14 |
| Complexity | 322.32336 |
Chemical Identifiers
| CAS Number | 62639-14-9 |
|---|---|
| SMILES | CSCC1=C(C=CC(=C1)C(F)(F)F)N |
Product Overview
2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine (CAS 62639-14-9), with molecular formula C9H10F3NS and molecular weight 221.05 g/mol. IUPAC: 2-(methylsulfanylmethyl)-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine
Property Insights of 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine
The XLogP value of 3.1506 indicates that 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine 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)methyl]-4-(trifluoromethyl)benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine 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)methyl]-4-(trifluoromethyl)benzenamine?
The CAS number of 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine is 62639-14-9.
What is the molecular formula of 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine?
The molecular formula of 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine is C9H10F3NS.
What is the molecular weight of 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine?
The molecular weight of 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine is 221.05 g/mol.
Where can I buy 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine?
You can request a quote for 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Methylthio)methyl]-4-(trifluoromethyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.