chempirical

Saccharin sodium salt hydrate

C7H6NNaO4SCAS 82385-42-0223.18 g/mol

Open in Covalent MOL file
ON−SOOH2ONa+

Properties

Molecular formula
C7H6NNaO4S
Molar mass
223.18 g/mol
Exact mass
222.9915 Da
logP
-0.51Crippen estimate
Polar surface area
98.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
82385-42-0
SMILES
O=C1[N-]S(=O)(=O)c2ccccc12.O.[Na+]
InChIKey
ADGODYTXWSFUEZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO3S.Na.H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;1H2

Weigh it out

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

Names and synonyms

2 names
  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate (1:1:?)
  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate

Work with Saccharin sodium salt hydrate

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 dihydrate6155-57-3100 % similar Sodium saccharin128-44-990 % similar Sodium anthraquinone-1-sulfonate128-56-337 % similar Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)853-35-036 % similar Alizarin red S130-22-335 % similar Potassium phthalimide1074-82-434 % similar Chloramine B127-52-634 % similar Sodium O-phenolsulfonate1300-51-233 % similar

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

Elsewhere

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