Ethyl thiocyanate

C₃H₅NSCAS 542-90-587.14 g/mol

Open in Covalent MOL file

Nitrile Sulfide

Properties

Molecular formula: C₃H₅NS
Molar mass: 87.14 g/mol
Exact mass: 87.0143 Da
Density: 1.0071 g/mL (at 23 °C)
Melting point: −85.5 °C
Boiling point: 146 °C
logP: 1.22Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

542-90-5

SMILES

CCSC#N

InChIKey

WFCLYEAZTHWNEH-UHFFFAOYSA-N

InChI

InChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3

Weigh it out

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

Names and synonyms

3 names

Thiocyanic acid, ethyl ester
Ethyl sulfocyanate
NSC 8827

Work with Ethyl 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

Methylene bis(thiocyanate)6317-18-650 % similar Butyl thiocyanate628-83-148 % similar Pentyl thiocyanate32446-40-546 % similar Chloromethyl thiocyanate3268-79-943 % similar Methyl thiocyanate556-64-942 % similar (3-Thiocyanatopropyl)triethoxysilane34708-08-235 % similar Tropeolin3012-37-135 % similar Diethyl disulfide110-81-633 % similar

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

Same formula

2-(Methylthio)acetonitrile35120-10-6 Ethyl isothiocyanate542-85-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia