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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
82385-42-0
SMILES
O=C1[N-]S(=O)(=O)c2ccccc12.O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium saccharin dihydrate6155-57-3Hydrate Sodium saccharin128-44-9Anhydrous Saccharin81-07-2Free acid

Similar compounds

3H-1,2-Benzodithiol-3-one-1,1-dioxide66304-01-640 % similar Sulfacetamide sodium6209-17-238 % 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

PubChem CAS Common Chemistry NIST WebBook