Molecular Identity
Saccharin
1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID: 5143
Saccharin 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 xenobiotic, a sweetening agent and an environmental contaminant. It is a 1,2-benzisothiazole and a N-sulfonylcarboxamide.
2D Structure
Properties
C7H5NO3S
Molecular Formula
183.19
Molecular Weight
g/mol
182.9990
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
71.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
303
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=OIsomeric SMILES
SMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=OSynonyms(20)
saccharin81-07-2o-Benzoic sulfimideo-SulfobenzimideSaccharineSaccharimideBenzosulfimideGarantoseo-BenzosulfimideBenzoic sulfimideBenzosulphimideSaccharinolSaccharinoseSaccharin insolubleBenzosulfinide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Saccharin
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