CAS 131105-90-3

2-Amino-3-(trifluoromethyl)benzenethiol

Description:

2-Amino-3-(trifluoromethyl)benzenethiol, with the CAS number 131105-90-3, is an organic compound characterized by the presence of an amino group (-NH2), a trifluoromethyl group (-CF3), and a thiol group (-SH) attached to a benzene ring. This compound is typically a solid at room temperature and exhibits a distinct aromatic character due to the benzene structure. The trifluoromethyl group significantly influences its chemical properties, enhancing its lipophilicity and potentially affecting its reactivity and interaction with biological systems. The thiol group contributes to its potential as a reducing agent and can participate in various chemical reactions, including nucleophilic substitutions and disulfide bond formations. Additionally, the amino group can engage in hydrogen bonding, which may enhance solubility in polar solvents. Overall, this compound's unique functional groups make it of interest in various fields, including medicinal chemistry and materials science, where it may serve as a building block for more complex molecules or as a ligand in coordination chemistry.

Formula: C₇H₆F₃NS

InChI: InChI=1S/C7H6F3NS/c8-7(9,10)4-2-1-3-5(12)6(4)11/h1-3,12H,11H2

InChI key: InChIKey=GYYSBWSFSDFQEN-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(N)C(S)=CC=C1

Synonyms:

• 2-Amino-3-(trifluoromethyl)benzene-1-thiol
• 2-Amino-3-(trifluoromethyl)benzenethiol
• Benzenethiol, 2-amino-3-(trifluoromethyl)-