1,3-Benzothiazol-2-ylacetonitrile TCI B6388

Chemical Identity

Other names: 2-Benzothiazoleacetonitrile · 2-(Benzo[d]thiazol-2-yl)acetonitrile · 2-(Cyanomethyl)benzothiazole
CAS No.: 56278-50-3
PubChem: CID 342465
Formula: C9H6N2S
Molecular weight: 174.22 g/mol
Purity: >98.0%(GC)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 2-(1,3-benzothiazol-2-yl)acetonitrile
SMILES: C1=CC=C2C(=C1)N=C(S2)CC#N
InChIKey: ZMZSYUSDGRJZNT-UHFFFAOYSA-N
MDL: MDL00051633

Rp 795.900,00

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TCI B6388, 1,3-benzothiazol-2-ylacetonitrile (CAS 56278-50-3), is an active-methylene heterocyclic building block in which the CH2 group is flanked by a benzothiazole ring and a nitrile. This acidity makes it an excellent partner for Knoevenagel condensations that yield strongly conjugated, often highly coloured products. Such adducts are widely explored as dyes, fluorophores, and push-pull materials for optoelectronic research, while the nitrile itself can be converted into amides, tetrazoles, or amines. Offered in 1 g and 5 g packs, the solid should be stored cool, dry, tightly closed, and away from strong acids, bases, and oxidisers.