Benzenamine, 2-((trifluoromethyl)thio)-
TL;DR: Benzenamine, 2-((trifluoromethyl)thio)- (CAS 347-55-7) is a chemical compound with molecular formula C7H6F3NS and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethylsulfanyl)aniline
Also Known As: 2-(trifluoromethylthio)aniline, 2-[(trifluoromethyl)thio]aniline, 2-[(Trifluoromethyl)sulfanyl]aniline, 2-(trifluoromethylsulfanyl)aniline, 2-Aminophenyl trifluoromethyl sulphide
| Molecular Formula | C7H6F3NS |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.0173 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 347-55-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SC(F)(F)F |
| InChIKey | HIPLFBJHUALLRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 2-((trifluoromethyl)thio)- (CAS 347-55-7), with molecular formula C7H6F3NS and molecular weight 193.02 g/mol. IUPAC: 2-(trifluoromethylsulfanyl)aniline.
Chemical Property Profile of Benzenamine, 2-((trifluoromethyl)thio)-
Property Insights of Benzenamine, 2-((trifluoromethyl)thio)-
The XLogP value of 3.0 indicates that Benzenamine, 2-((trifluoromethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Benzenamine, 2-((trifluoromethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 2-((trifluoromethyl)thio)- 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 Benzenamine, 2-((trifluoromethyl)thio)-?
The CAS number of Benzenamine, 2-((trifluoromethyl)thio)- is 347-55-7.
What is the molecular formula of Benzenamine, 2-((trifluoromethyl)thio)-?
The molecular formula of Benzenamine, 2-((trifluoromethyl)thio)- is C7H6F3NS.
What is the molecular weight of Benzenamine, 2-((trifluoromethyl)thio)-?
The molecular weight of Benzenamine, 2-((trifluoromethyl)thio)- is 193.02 g/mol.
Where can I buy Benzenamine, 2-((trifluoromethyl)thio)-?
You can request a quote for Benzenamine, 2-((trifluoromethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-((trifluoromethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-((trifluoromethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.