CAS 87010-96-6

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]butanenitrile

Description:

3-[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]butanenitrile, with the CAS number 87010-96-6, is a chemical compound that features a butanenitrile backbone substituted with a thiadiazole moiety. This compound is characterized by the presence of a thiol group, which contributes to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The thiadiazole ring, known for its biological activity, enhances the compound's properties, making it of interest in medicinal chemistry. The nitrile functional group (-C≡N) is notable for its ability to participate in nucleophilic reactions and can influence the compound's solubility and polarity. Overall, this compound exhibits a unique combination of structural features that may impart specific biological activities or chemical reactivity, making it a subject of interest for further research and development in synthetic chemistry and related applications.

Formula: C₇H₉N₃S₂

InChI: InChI=1S/C7H9N3S2/c1-5(3-4-8)11-7-10-9-6(2)12-7/h5H,3H2,1-2H3

InChI key: InChIKey=WFWOUQBJRPACMG-UHFFFAOYSA-N

SMILES: S(C(CC#N)C)C=1SC(C)=NN1

Synonyms:

• 3-[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]butanenitrile
• Butanenitrile, 3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-
• 3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanenitrile