Phenylsulphonylacetonitrile (C8H7NO2S)

Phenylsulphonylacetonitrile (C8H7NO2S; CAS 7605-28-9) is a practical retrosynthesis target. Phenylsulphonylacetonitrile presents a C8 framework, aromatic rings, basic nitrogen. Open AI route search in one click below.

Target: Phenylsulphonylacetonitrile
CAS: 7605-28-9
Formula: C8H7NO2S
Approx. MW: 181.21
SMILES: N#CCS(=O)(=O)c1ccccc1
PubChem CID: 82077
Approx. carbons: C8

Phenylsulphonylacetonitrile structure

Properties

IUPAC name: 2-(benzenesulfonyl)acetonitrile
Common names: Phenylsulphonylacetonitrile; Acetonitrile, (phenylsulfonyl)-; EINECS 231-515-0; DTXSID40226949; RefChem:861832; DTXCID20149440; 231-515-0; 7605-28-9; (Phenylsulfonyl)acetonitrile; Benzenesulfonylacetonitrile
Molecular weight: 181.21
Exact mass: 181.02
InChIKey: ZFCFFNGBCVAUDE-UHFFFAOYSA-N

View on PubChem

Phenylsulphonylacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Phenylsulphonylacetonitrile?

Phenylsulphonylacetonitrile has molecular formula C8H7NO2S. Molecular weight about 181.21 g·mol⁻¹.

What is the CAS number of Phenylsulphonylacetonitrile?

The CAS Registry Number for Phenylsulphonylacetonitrile is 7605-28-9.

Run AI retrosynthesis for Phenylsulphonylacetonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H7NO2S.

Related targets

Similar compounds

(Pentafluorophenyl)acetonitrile 1-(4-Fluorophenyl)ethylamine 1-Phenylethanamine 2-(2-Chlorophenyl)ethylamine 2-(Piperazin-1-yl)pyrimidine 2-(Trifluoromethoxy)benzonitrile

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.