chempirical

Calcium thiocyanate

C2CaN2S2CAS 2092-16-2156.23 g/mol

Open in Covalent MOL file
NS−NS−Ca2+
NitrileThiol

Properties

Molecular formula
C2CaN2S2
Molar mass
156.23 g/mol
Exact mass
155.9129 Da
Density
1.36 g/mL (at 70 °C)
logP
0.02Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
2092-16-2
SMILES
N#C[S-].N#C[S-].[Ca+2]
InChIKey
VILAETKBOMKIOY-UHFFFAOYSA-N
InChI
InChI=1S/CHNS.Ca/c2-1-3;/h3H;

Weigh it out

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

Names and synonyms

9 names
  • Thiocyanic acid, calcium salt (2:1)
  • Thiocyanic acid, calcium salt
  • Calcium rhodanate
  • Calcium sulfocyanate
  • Calcium dithiocyanate
  • Thiocyan
  • Calcium diisothiocyanate
  • Calcium thiocyanate (Ca(SCN)2)
  • Calcium thiocyanide

Work with Calcium thiocyanate

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

Copper(I) thiocyanate1111-67-760 % similar Silver thiocyanate1701-93-560 % similar Barium thiocyanate2092-17-360 % similar Cobalt(II) thiocyanate3017-60-560 % similar Potassium thiocyanate333-20-060 % similar Sodium thiocyanate540-72-760 % similar Mercury(II) thiocyanate592-85-860 % similar Lead(II) thiocyanate592-87-060 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook