CAS 42474-60-2

2-methyl-1,3-benzothiazole-6-carbonitrile

Description:

2-Methyl-1,3-benzothiazole-6-carbonitrile is an organic compound characterized by its unique structure, which includes a benzothiazole ring fused with a carbonitrile group. This compound typically exhibits a pale yellow to light brown appearance and is known for its aromatic properties due to the presence of the benzothiazole moiety. It is generally soluble in organic solvents, such as dimethyl sulfoxide (DMSO) and acetone, but may have limited solubility in water. The presence of the carbonitrile functional group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions. This compound is often studied for its biological activities, including potential applications in pharmaceuticals and agrochemicals. Additionally, its structural features may impart specific electronic properties, making it of interest in materials science and organic synthesis. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₉H₆N₂S

InChI: InChI=1/C9H6N2S/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2-4H,1H3

SMILES: Cc1nc2ccc(cc2s1)C#N

Synonyms:

• 6-Benzothiazolecarbonitrile, 2-methyl-

2-Methylbenzo[d]thiazole-6-carbonitrile

CAS: 42474-60-2

Formula: C₉H₆N₂S

Purity: 95%

Color and Shape: Solid

Molecular weight: 174.2223

Ref: IN-DA00727U

2-Methyl-6-benzothiazolecarbonitrile

CAS: 42474-60-2

2-Methyl-6-benzothiazolecarbonitrile is a heterocyclic compound that is used in the synthesis of benzothiazolium salts. The salt is obtained by reacting 2-methyl-6-(benzothiazole)carbonitrile with hydrochloric acid. It crystallizes in the triclinic system, with a space group P1 and unit cell parameters: a = 8.872 Å, b = 16.926 Å, c = 12.614 Å, β= 121.5°. Elemental analysis shows that it contains C, H and N; 13C NMR spectroscopy shows that the shift values are between −5 and 5 ppm for different substituted benzothiazole rings. The number of nonlinear parameters for this molecule is 3.

Formula: C₉H₆N₂S

Purity: Min. 95%

Molecular weight: 174.22 g/mol

Ref: 3D-FM151898