Tosylacetonitrile (C9H9NO2S)

Looking for routes to Tosylacetonitrile? Tosylacetonitrile presents a C9 framework, aromatic rings, basic nitrogen. Use the planner with prefilled SMILES, or copy Cc1ccc(S(=O)(=O)CC#N)cc1 (CAS 5697-44-9).

Target: Tosylacetonitrile
CAS: 5697-44-9
Formula: C9H9NO2S
Approx. MW: 195.24
SMILES: Cc1ccc(S(=O)(=O)CC#N)cc1
PubChem CID: 79776
Approx. carbons: C9

Tosylacetonitrile structure

Properties

Molecular weight: 195.24

View on PubChem

Tosylacetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Tosylacetonitrile?

Tosylacetonitrile has molecular formula C9H9NO2S. Molecular weight about 195.24 g·mol⁻¹.

What is the CAS number of Tosylacetonitrile?

The CAS Registry Number for Tosylacetonitrile is 5697-44-9.

Run AI retrosynthesis for Tosylacetonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C9H9NO2S.

Related targets

Similar compounds

(S)-adrenaline 1,2,3,4-tetrahydroquinoline 2-Amino-6-Ethoxybenzothiazole 2-Isopropylaniline 2-Methoxyphenethylamine 2-Phenylpropionitrile

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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.