chempirical

Sodium thiocyanate

CNNaSCAS 540-72-781.07 g/mol

Open in Covalent MOL file
NS−Na+
NitrileThiol

Properties

Molecular formula
CNNaS
Molar mass
81.07 g/mol
Exact mass
80.9649 Da
Density
1.7 g/mL
Melting point
300 °C
logP
0.02Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
540-72-7
SMILES
N#C[S-].[Na+]
InChIKey
UCPNVURWWCDTEA-UHFFFAOYSA-N
InChI
InChI=1S/CHNS.Na/c2-1-3;/h3H;

Weigh it out

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

Names and synonyms

11 names
  • Thiocyanic acid, sodium salt (1:1)
  • Thiocyanic acid, sodium salt
  • Sodium isothiocyanate
  • Haimased
  • Sodium rhodanide
  • Sodium sulfocyanate
  • Sodium sulfocyanide
  • Sodium thiocyanide
  • Sodium rhodanate
  • Scyan
  • Thiocyanic acid, sodium salt, ion(1-) (1:1)

Work with Sodium 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 Copper(I) thiocyanate1111-67-7Salt Potassium thiocyanate333-20-0Salt Barium thiocyanate2092-17-3Salt Cobalt(II) thiocyanate3017-60-5Salt Mercury(II) thiocyanate592-85-8Salt Ammonium thiocyanate1762-95-4Salt 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

Similar compounds

Sodium cyanoborohydride25895-60-733 % similar Sodium cyanate917-61-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia