Molecule ID: 5143

IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one

Description: The molecule is a 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. It has a role as a sweetening agent, a xenobiotic and an environmental contaminant. It is a 1,2-benzisothiazole and a N-sulfonylcarboxamide.

SMILES: O=S1(=O)N=C(O)c2ccccc21

SELFIES: [O][=S][=Branch1][C][=O][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]

InChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

Molecular Properties:
- Polar Surface Area: 71.6 Ų
- LogP: 0.9