2-(2-Oxopropyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

CAS: 40506-05-6

Ref. 3D-FO132818

Product Information

• Name: 2-(2-Oxopropyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• Synonyms: 1,2-benzisothiazol-3(2H)-one, 2-(2-oxopropyl)-, 1,1-dioxide, 1,2-benzisothiazol-3(2H)-one, 2-(2-oxopropyl)-, 1,1-dioxide, 2-(2-oxopropyl)-2,3-dihydro-1H-1lambda~6~-benzo[d]isothiazole-1,1,3-trione

Description

2-(2-Oxopropyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is a planar molecule that has an intermolecular bond with a dimeric structure. It belongs to the benzothiazine class of compounds and has shown biological activity in systematic studies. The crystal structure of 2-(2-Oxopropyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide has been determined using X-ray crystallography. The molecule is centrosymmetric and exhibits hydrogen bonding interactions. 2-(2-Oxopropyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide also forms a benzothiazole ring with two adjacent oxygen atoms and may form another five hydrogen bonds with different molecules. This molecule is not found in nature but can be synthesized from

• Brand: Biosynth

Chemical properties

• Molecular weight: 239.25 g/mol
• Formula: C₁₀H₉NO₄S
• Purity: Min. 95%
• InChI: InChI=1S/C10H9NO4S/c1-7(12)6-11-10(13)8-4-2-3-5-9(8)16(11,14)15/h2-5H,6H2,1H3
• InChI key: InChIKey=FIKYUYWVOVLHRS-UHFFFAOYSA-N
• SMILES: CC(=O)CN1C(=O)c2ccccc2S1(=O)=O