Benzenethiol, 4-amino-2-(trifluoromethyl)-
TL;DR: Benzenethiol, 4-amino-2-(trifluoromethyl)- (CAS 497854-79-2) 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.
4-amino-2-(trifluoromethyl)benzenethiol
Also Known As: 4-mercapto-3-trifluoromethylaniline, 4-amino-2-(trifluoromethyl)benzenethiol, Benzenethiol, 4-amino-2-(trifluoromethyl)-, 4-Mercapto-3-(trifluoromethyl)aniline
| Molecular Formula | C7H6F3NS |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.5763 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.0173 |
| Heavy Atoms | 12 |
| Complexity | 295.19324 |
Chemical Identifiers
| CAS Number | 497854-79-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)C(F)(F)F)S |
Product Overview
Benzenethiol, 4-amino-2-(trifluoromethyl)- (CAS 497854-79-2), with molecular formula C7H6F3NS and molecular weight 193.02 g/mol. IUPAC: 4-amino-2-(trifluoromethyl)benzenethiol.
Chemical Property Profile of Benzenethiol, 4-amino-2-(trifluoromethyl)-
Property Insights of Benzenethiol, 4-amino-2-(trifluoromethyl)-
The XLogP value of 2.5763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenethiol, 4-amino-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 26.02 Ų, Benzenethiol, 4-amino-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenethiol, 4-amino-2-(trifluoromethyl)- has 2 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 Benzenethiol, 4-amino-2-(trifluoromethyl)-?
The CAS number of Benzenethiol, 4-amino-2-(trifluoromethyl)- is 497854-79-2.
What is the molecular formula of Benzenethiol, 4-amino-2-(trifluoromethyl)-?
The molecular formula of Benzenethiol, 4-amino-2-(trifluoromethyl)- is C7H6F3NS.
What is the molecular weight of Benzenethiol, 4-amino-2-(trifluoromethyl)-?
The molecular weight of Benzenethiol, 4-amino-2-(trifluoromethyl)- is 193.02 g/mol.
Where can I buy Benzenethiol, 4-amino-2-(trifluoromethyl)-?
You can request a quote for Benzenethiol, 4-amino-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, 4-amino-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, 4-amino-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.