chempirical

Methyl thiocyanate

C2H3NSCAS 556-64-973.11 g/mol

Open in Covalent MOL file
SN
NitrileSulfide

Properties

Molecular formula
C2H3NS
Molar mass
73.11 g/mol
Exact mass
72.9986 Da
Density
1.068 g/mL (at 25 °C)
Melting point
−51 °C
Boiling point
130–133 °C
logP
0.83Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
556-64-9
SMILES
CSC#N
InChIKey
VYHVQEYOFIYNJP-UHFFFAOYSA-N
InChI
InChI=1S/C2H3NS/c1-4-2-3/h1H3

Weigh it out

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

Names and synonyms

3 names
  • Thiocyanic acid, methyl ester
  • Methyl sulfocyanate
  • NSC 9368

Work with Methyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl thiocyanate542-90-542 % similar Methylene bis(thiocyanate)6317-18-641 % similar Chloromethyl thiocyanate3268-79-935 % similar Butyl thiocyanate628-83-135 % similar Pentyl thiocyanate32446-40-533 % similar

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

Same formula

Methyl isothiocyanate556-61-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia