2-(Isopropylthio)benzoic acid

CAS: 41394-95-0

Ref. 3D-FI119435

Product Information

• Name: 2-(Isopropylthio)benzoic acid
• Synonyms: benzoic acid, 2-[(1-methylethyl)thio]-

Description

2-(Isopropylthio)benzoic acid is a chiral molecule with two enantiomers. It is a ligand that binds to the metal ion ruthenium (Ru) and forms a complex. The complex has been shown to have descriptors such as dihedral, cyclic, centrosymmetric, and chiral. This ligand has been used in the synthesis of other molecules. 2-(Isopropylthio)benzoic acid has also been shown to form hydrogen bonds with sulfides and sulfoxides. 2-Isopropylthiophenol can be synthesized from this compound by oxidation or reduction reactions.

• Brand: Biosynth

Chemical properties

• Molecular weight: 196.27 g/mol
• Formula: C₁₀H₁₂O₂S
• Purity: Min. 95%
• InChI: InChI=1S/C10H12O2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12)
• InChI key: InChIKey=CHFNTLOTIFQVGQ-UHFFFAOYSA-N
• SMILES: CC(C)Sc1ccccc1C(=O)O