chempirical

Sodium saccharin

C7H4NNaO3SCAS 128-44-9205.16 g/mol

Open in Covalent MOL file
ON−SOONa+

Properties

Molecular formula
C7H4NNaO3S
Molar mass
205.16 g/mol
Exact mass
204.9810 Da
Melting point
120 °C
logP
0.31Crippen estimate
Polar surface area
66.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
128-44-9
SMILES
O=C1[N-]S(=O)(=O)c2ccccc12.[Na+]
InChIKey
IDIPRSBHIGCTDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

25 names · show all
  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt (1:1)
  • 1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium salt
  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt
  • 1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium deriv.
  • Saccharin, sodium deriv.
  • Cristallose
  • Crystallose
  • Kristallose
  • Saccharin sodium
  • Saccharin soluble
  • Saxin
  • Sodium o-benzosulfimide
  • Sodium saccharine
  • Soluble saccharin
  • Sweeta
  • Sykose
  • Willosetten
  • Sodium saccharinate
  • 1,2-Benzothiazol-3(2H)-one 1,1-dioxide sodium salt
  • Sodium saccharide
  • Saccharin sodium salt
  • o-Benzoylsulfimide sodium salt
  • Sodium o-sulfobenzimide
  • Sucram C 150
  • Sodium 1,1,3-trioxo-2,3-dihydro-1λ6,2-benzothiazol-2-ide

Work with Sodium saccharin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium saccharin dihydrate6155-57-390 % similar Saccharin sodium salt hydrate82385-42-090 % similar Sodium anthraquinone-1-sulfonate128-56-340 % similar Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)853-35-039 % similar Alizarin red S130-22-338 % similar Potassium phthalimide1074-82-437 % similar Chloramine B127-52-637 % similar Sodium O-phenolsulfonate1300-51-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook