1-Methyl-4-(sulfinylamino)benzene

CAS: 15795-42-3

Ref. 3D-FM133909

Product Information

• Name: 1-Methyl-4-(sulfinylamino)benzene
• Synonyms: benzene, 1-methyl-4-(sulfinylamino)-, Benzenamine, 4-methyl-N-sulfinyl-, 4-methyl-N-sulfinylaniline

Description

1-Methyl-4-(sulfinylamino)benzene is a molecule that contains a hydroxyl group. It is an isomer of 1-methyl-4-nitrobenzene. The hydroxyl group in 1-methyl-4-(sulfinylamino)benzene reacts with the sulfinamide group to form a cyclometallated intermediate. This reaction has an activation energy of 32 kcal/mol, which is higher than the activation energies for other reactions involving nucleophilic substitution. The nmr spectra shows this product as having two methyl groups, which are present on either side of the sulfinamide group. Kinetic studies show that the conformational change in this molecule can be enhanced by adding ligands to it.

• Brand: Biosynth

Chemical properties

• Molecular weight: 153.2 g/mol
• Formula: C₇H₇NOS
• Purity: Min. 95%
• InChI: InChI=1S/C7H7NOS/c1-6-2-4-7(5-3-6)8-10-9/h2-5H,1H3
• InChI key: InChIKey=KLHMRBYLBVCGDT-UHFFFAOYSA-N
• SMILES: Cc1ccc(N=S=O)cc1