chempirical

Guanidinium thiocyanate

C2H6N4SCAS 593-84-0118.16 g/mol

Open in Covalent MOL file
NSHNHH2NNH2
GuanidineNitrileThiol

Properties

Molecular formula
C2H6N4S
Molar mass
118.16 g/mol
Exact mass
118.0313 Da
Melting point
118 °C
logP
-0.76Crippen estimate
Polar surface area
99.7 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
0

Identifiers

CAS number
593-84-0
SMILES
N#CS.N=C(N)N
InChIKey
ZJYYHGLJYGJLLN-UHFFFAOYSA-N
InChI
InChI=1S/CH5N3.CHNS/c2-1(3)4;2-1-3/h(H5,2,3,4);3H

Weigh it out

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

Names and synonyms

12 names
  • Thiocyanic acid, compd. with guanidine (1:1)
  • Guanidine thiocyanate
  • Guanidine, monothiocyanate
  • Guanidine isothiocyanate
  • NSC 2119
  • RLT
  • Buffer AVL
  • Buffer ML
  • Buffer MTL
  • Buffer RLT
  • GTC
  • Guanidinium isothiocyanate

Work with Guanidinium 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

Thiocyanic acid463-56-950 % similar Ammonium thiocyanate1762-95-443 % similar Guanidinium chloride50-01-143 % similar Diguanidine phosphate5423-23-440 % similar Diguanidinium carbonate593-85-135 % similar Carbamidinium sulfate1184-68-533 % similar Guanidinium sulfate594-14-933 % similar Guanidine sulfamate51528-20-231 % similar

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

Same formula

Amidinothiourea2114-02-5

Elsewhere

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