CAS 1949816-31-2

3(2H)-Benzothiazoleacetic acid, 6-chloro-2-imino-, methyl ester, hydrobromide (1:1)

Description:

3(2H)-Benzothiazoleacetic acid, 6-chloro-2-imino-, methyl ester, hydrobromide (1:1) is a chemical compound characterized by its benzothiazole core, which contributes to its heterocyclic structure and potential biological activity. The presence of a methyl ester functional group indicates that it can undergo hydrolysis to release the corresponding acid, which may exhibit different properties. The hydrobromide salt form suggests enhanced solubility in polar solvents, making it suitable for various applications, including pharmaceutical formulations. The 6-chloro substitution introduces a halogen, which can influence the compound's reactivity and interaction with biological targets. This compound may exhibit properties such as antimicrobial or anti-inflammatory activity, typical of benzothiazole derivatives. Its specific characteristics, including melting point, solubility, and spectral data, would be essential for practical applications and further research. As with many compounds in medicinal chemistry, understanding its structure-activity relationship is crucial for exploring its potential therapeutic uses.

Formula: C₁₀H₉ClN₂O₂S·BrH

InChI: InChI=1S/C10H9ClN2O2S.BrH/c1-15-9(14)5-13-7-3-2-6(11)4-8(7)16-10(13)12;/h2-4,12H,5H2,1H3;1H

InChI key: InChIKey=GHTDMSMUZBMQSU-UHFFFAOYSA-N

SMILES: C(C(OC)=O)N1C=2C(SC1=N)=CC(Cl)=CC2.Br

Synonyms:

• 3(2H)-Benzothiazoleacetic acid, 6-chloro-2-imino-, methyl ester, hydrobromide (1:1)

methyl 2-(6-chloro-2-iminobenzo[d]thiazol-3(2H)-yl)acetate hydrobromide

CAS: 1949816-31-2

Formula: C₁₀H₁₀BrClN₂O₂S

Purity: 95.0%

Molecular weight: 337.62

Ref: 10-F515262