Methylsulfonylacetonitrile (C3H5NO2S)

Methylsulfonylacetonitrile (C3H5NO2S; CAS 2274-42-2) is a practical retrosynthesis target. Methylsulfonylacetonitrile presents a C3 framework, basic nitrogen. Open AI route search in one click below.

Target: Methylsulfonylacetonitrile
CAS: 2274-42-2
Formula: C3H5NO2S
Approx. MW: 119.14
SMILES: CS(=O)(=O)CC#N
PubChem CID: 75283
Approx. carbons: C3

Methylsulfonylacetonitrile structure

Properties

IUPAC name: 2-methylsulfonylacetonitrile
Common names: 2274-42-2; Methylsulfonylacetonitrile; 2-(Methylsulfonyl)acetonitrile; (methylsulfonyl)acetonitrile; Mesylacetonitrile; 2-methylsulfonylacetonitrile; ACETONITRILE, 2-(METHYLSULFONYL)-; H5U7X5ZYL7; EINECS 218-888-5; NSC-207832
Molecular weight: 119.14
Exact mass: 119.00
InChIKey: FOTRKCAZUSJCQD-UHFFFAOYSA-N

View on PubChem

Methylsulfonylacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methylsulfonylacetonitrile?

Methylsulfonylacetonitrile has molecular formula C3H5NO2S. Molecular weight about 119.14 g·mol⁻¹.

What is the CAS number of Methylsulfonylacetonitrile?

The CAS Registry Number for Methylsulfonylacetonitrile is 2274-42-2.

Run AI retrosynthesis for Methylsulfonylacetonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C3H5NO2S.

Related targets

Similar compounds

(2R)-2-hydroxypropanamide 2-Chloroacrylonitrile 2-Chloropropionamide 2-Cyanoacetamide 2-Cyanoethyltrichlorosilane 2-Imidazolidone

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.