chempirical

Calcium sulfate dihydrate

CaH4O6SCAS 10101-41-4172.16 g/mol

Open in Covalent MOL file
O−SO−OOH2OH2OCa2+

Properties

Molecular formula
CaH4O6S
Molar mass
172.16 g/mol
Exact mass
171.9354 Da
logP
-2.68Crippen estimate
Polar surface area
137.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
10101-41-4
SMILES
[O-]S([O-])(=O)=O.O.O.[Ca+2]
InChIKey
SYBAEPIGGIQOHW-UHFFFAOYSA-N
InChI
InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2

Weigh it out

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

Names and synonyms

10 names
  • Sulfuric acid, calcium salt, hydrate (1:1:2)
  • Sulfuric acid, calcium salt (1:1), dihydrate
  • Annaline
  • Mineral white
  • Calcium sulfate (CaSO4) dihydrate
  • Calcium sulfate (1:1) dihydrate
  • Compactrol
  • Calcium sulfate dihydrate (CaSO4.2H2O)
  • Gypsum dihydrate
  • Calcigen

Work with Calcium sulfate dihydrate

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

Calcium sulfate hemihydrate10034-76-1100 % similar Calcium sulfate7778-18-980 % similar Ytterbium sulfate (Yb2(SO4)3) octahydrate10034-98-771 % similar Cobalt sulfate (coso4) heptahydrate10026-24-167 % similar Manganese sulfate monohydrate10034-96-567 % similar Magnesium sulfate heptahydrate10034-99-867 % similar Nickel sulfate hexahydrate10101-97-067 % similar Nickel sulfate heptahydrate10101-98-167 % similar

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

Elsewhere

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