chempirical

Calcium bisulfite

CaH2O6S2CAS 13780-03-5202.21 g/mol

Open in Covalent MOL file
O−SO−OOSHOOHCa2+

Properties

Molecular formula
CaH2O6S2
Molar mass
202.21 g/mol
Exact mass
201.8919 Da
logP
-0.70Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
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
13780-03-5
SMILES
[O-]S([O-])=O.O=S(O)O.[Ca+2]
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

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Names and synonyms

3 names
  • Sulfurous acid, calcium salt (2:1)
  • Calcium sulfite (Ca(HSO3)2)
  • Calcium hydrogen sulfite

Work with Calcium bisulfite

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

Sulfurous acid7782-99-250 % similar Potassium sulfite10117-38-143 % similar Ammonium bisulfite10192-30-043 % similar Ammonium sulfite10196-04-043 % similar Sodium sulfite7757-83-743 % similar Magnesium sulfite7757-88-243 % similar Barium sulfite7787-39-543 % similar Sodium sulfite heptahydrate10102-15-538 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia