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

Hazards

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

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Identifiers

CAS number
2092-16-2
SMILES
N#C[S-].N#C[S-].[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.

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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

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.

Thiocyanic acid463-56-9Parent compound Sodium thiocyanate540-72-7Salt Ammonium thiocyanate1762-95-4Salt Copper(I) thiocyanate1111-67-7Salt Barium thiocyanate2092-17-3Salt Cobalt(II) thiocyanate3017-60-5Salt Potassium thiocyanate333-20-0Salt Lead(II) thiocyanate592-87-0Salt Mercury(II) thiocyanate592-85-8Salt Silver thiocyanate1701-93-5Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt Lithium thiocyanate hydrate123333-85-7Salt

Elsewhere

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