(Methylsulfonyl)acetonitrile

C₃H₅NO₂SCAS 2274-42-2119.14 g/mol

Open in Covalent MOL file

Nitrile Sulfone

Properties

Molecular formula: C₃H₅NO₂S
Molar mass: 119.14 g/mol
Exact mass: 119.0041 Da
Melting point: 83.5–84.5 °C
logP: -0.45Crippen estimate
Polar surface area: 57.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

2274-42-2

SMILES

CS(=O)(=O)CC#N

InChIKey

FOTRKCAZUSJCQD-UHFFFAOYSA-N

InChI

InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3

Weigh it out

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

Names and synonyms

6 names

Acetonitrile, 2-(methylsulfonyl)-
Acetonitrile, (methylsulfonyl)-
2-(Methylsulfonyl)acetonitrile
Methanesulfonylacetonitrile
NSC 207832
2-Methanesulfonylacetonitrile

Work with (Methylsulfonyl)acetonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook