2-Cyanoethyl sulfide (C6H8N2S)

2-Cyanoethyl sulfide presents a C6 framework, basic nitrogen (formula C6H8N2S, CAS 111-97-7). ChemicalTool Reaction can propose ranked disconnections for 2-Cyanoethyl sulfide from the SMILES N#CCCSCCC#N.

Target: 2-Cyanoethyl sulfide
CAS: 111-97-7
Formula: C6H8N2S
Approx. MW: 140.20
SMILES: N#CCCSCCC#N
PubChem CID: 8151
Approx. carbons: C6

2-Cyanoethyl sulfide structure

Properties

IUPAC name: 3-(2-cyanoethylsulfanyl)propanenitrile
Molecular weight: 140.21
Exact mass: 140.04
InChIKey: NDVLTZFQVDXFAN-UHFFFAOYSA-N

View on PubChem

2-Cyanoethyl sulfide 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Cyanoethyl sulfide?

2-Cyanoethyl sulfide has molecular formula C6H8N2S. Molecular weight about 140.20 g·mol⁻¹.

What is the CAS number of 2-Cyanoethyl sulfide?

The CAS Registry Number for 2-Cyanoethyl sulfide is 111-97-7.

Run AI retrosynthesis for 2-Cyanoethyl sulfide Target catalog AI tools overview

One click loads 2-Cyanoethyl sulfide into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

(1-Aminocyclopentyl)methanol (3R)-3-aminoazepan-2-one (Butylamino)acetonitrile 1-Cyanoallyl acetate 1-Ethyl-2-Pyrrolidinone 2-Ethylbutylamine

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.