CAS 112146-11-9

5-(Trifluoromethyl)-2-benzothiazoleacetonitrile

Description:

5-(Trifluoromethyl)-2-benzothiazoleacetonitrile, with the CAS number 112146-11-9, is a chemical compound characterized by its unique structural features, which include a benzothiazole ring and a trifluoromethyl group. This compound is typically a solid at room temperature and exhibits a relatively high melting point. It is known for its potential applications in pharmaceuticals and agrochemicals, often serving as an intermediate in the synthesis of biologically active molecules. The presence of the trifluoromethyl group enhances its lipophilicity and metabolic stability, making it an attractive candidate in medicinal chemistry. Additionally, the nitrile functional group contributes to its reactivity, allowing for various chemical transformations. The compound is generally stable under standard conditions but may require careful handling due to the presence of fluorine, which can impart unique reactivity and toxicity profiles. Overall, 5-(Trifluoromethyl)-2-benzothiazoleacetonitrile is a valuable compound in synthetic organic chemistry with diverse applications.

Formula: C₁₀H₅F₃N₂S

InChI: InChI=1S/C10H5F3N2S/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14/h1-2,5H,3H2

InChI key: InChIKey=QBZYAWYXEIFDQV-UHFFFAOYSA-N

SMILES: C(C#N)C1=NC=2C(S1)=CC=C(C(F)(F)F)C2

Synonyms:

• 5-(Trifluoromethyl)-2-benzothiazoleacetonitrile
• NSC 699713
• 5-Trifluoromethyl-2-benzothiazoleacetonitrile
• 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
• 2-Benzothiazoleacetonitrile, 5-(trifluoromethyl)-

2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

CAS: 112146-11-9

Versatile small molecule scaffold

Formula: C₁₀H₅F₃N₂S

Purity: Min. 95%

Molecular weight: 242.22 g/mol

Ref: 3D-MEA14611