chempirical

Barium thiocyanate

C2BaN2S2CAS 2092-17-3253.48 g/mol

Open in Covalent MOL file
NS−NS−Ba2+
NitrileThiol

Properties

Molecular formula
C2BaN2S2
Molar mass
253.48 g/mol
Exact mass
253.8555 Da
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. Search the SDS library

Identifiers

CAS number
2092-17-3
SMILES
N#C[S-].N#C[S-].[Ba+2]
InChIKey
BAMXWFLXIBBGLA-UHFFFAOYSA-N
InChI
InChI=1S/CHNS.Ba/c2-1-3;/h3H;

Weigh it out

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

Names and synonyms

10 names
  • Thiocyanic acid, barium salt (2:1)
  • Thiocyanic acid, barium salt
  • Barium rhodanide
  • Barium sulfocyanate
  • Barium sulfocyanide
  • Barium dithiocyanate
  • Barium bis(thiocyanate)
  • Barium isothiocyanate
  • Barium thiocyanate (Ba(SCN)2)
  • Barium thiocyanate (Ba(NCS)2)

Work with Barium 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 Potassium thiocyanate333-20-0Salt Cobalt(II) thiocyanate3017-60-5Salt Mercury(II) thiocyanate592-85-8Salt Lead(II) thiocyanate592-87-0Salt Silver thiocyanate1701-93-5Salt Calcium thiocyanate2092-16-2Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt Lithium thiocyanate hydrate123333-85-7Salt

Elsewhere

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