3-Amino-4-(methylthio)benzotrifluoride
TL;DR: 3-Amino-4-(methylthio)benzotrifluoride (CAS 1807168-38-2) 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-5-(trifluoromethyl)aniline
Also Known As: 3-Amino-4-(methylthio)benzotrifluoride, 2-(methylthio)-5-(trifluoromethyl)aniline, 2-methylthio-5-(trifluoromethyl)aniline, 2-methylsulfanyl-5-(trifluoromethyl)aniline, 2-(Methylsulfanyl)-5-(trifluoromethyl)aniline
| Molecular Formula | C8H8F3NS |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.03296 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 1807168-38-2 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)C(F)(F)F)N |
| InChIKey | OQFOLJGOVFYDHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-(methylthio)benzotrifluoride (CAS 1807168-38-2), with molecular formula C8H8F3NS and molecular weight 207.03 g/mol. IUPAC: 2-methylsulfanyl-5-(trifluoromethyl)aniline.
Chemical Property Profile of 3-Amino-4-(methylthio)benzotrifluoride
Property Insights of 3-Amino-4-(methylthio)benzotrifluoride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(methylthio)benzotrifluoride. With a topological polar surface area (TPSA) of 51.3 Ų, 3-Amino-4-(methylthio)benzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4-(methylthio)benzotrifluoride 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 3-Amino-4-(methylthio)benzotrifluoride?
The CAS number of 3-Amino-4-(methylthio)benzotrifluoride is 1807168-38-2.
What is the molecular formula of 3-Amino-4-(methylthio)benzotrifluoride?
The molecular formula of 3-Amino-4-(methylthio)benzotrifluoride is C8H8F3NS.
What is the molecular weight of 3-Amino-4-(methylthio)benzotrifluoride?
The molecular weight of 3-Amino-4-(methylthio)benzotrifluoride is 207.03 g/mol.
Where can I buy 3-Amino-4-(methylthio)benzotrifluoride?
You can request a quote for 3-Amino-4-(methylthio)benzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(methylthio)benzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(methylthio)benzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.