Sodium thiocyanate

CNNaSCAS 540-72-781.07 g/mol

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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

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
540-72-7
SMILES
N#C[S-].[Na+]
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

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)

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 540-72-7. Each row opens the sheet with its composition and PDF.

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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 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 Calcium thiocyanate2092-16-2Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt Lithium thiocyanate hydrate123333-85-7Salt

Similar compounds

Sodium dicyanamide1934-75-433 % similar Sodium cyanoborohydride25895-60-733 % similar Sodium cyanate917-61-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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