CAS 1196152-60-9

7-Nitro-2(3H)-benzothiazolethione

Description:

7-Nitro-2(3H)-benzothiazolethione is a chemical compound characterized by its unique structure, which includes a benzothiazole ring fused with a thione functional group and a nitro substituent. This compound typically exhibits a yellow to orange color due to the presence of the nitro group, which can also influence its reactivity and solubility in various solvents. The thione group contributes to its potential as a nucleophile, making it reactive in various chemical reactions, including those involving electrophiles. Additionally, the compound may display interesting photophysical properties, which can be useful in applications such as fluorescence or as a dye. Its potential biological activity could be explored in medicinal chemistry, particularly in the development of new pharmaceuticals. However, specific safety and handling guidelines should be followed, as with any chemical substance, due to the presence of the nitro group, which can pose hazards. Overall, 7-Nitro-2(3H)-benzothiazolethione is a compound of interest in both synthetic and applied chemistry contexts.

Formula: C₇H₄N₂O₂S₂

InChI: InChI=1S/C7H4N2O2S2/c10-9(11)5-3-1-2-4-6(5)13-7(12)8-4/h1-3H,(H,8,12)

InChI key: InChIKey=FDEQWUDLNKAUKP-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C2C(NC(=S)S2)=CC=C1

Synonyms:

• 2(3H)-Benzothiazolethione, 7-nitro-
• 7-Nitro-2(3H)-benzothiazolethione