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CAS 4886-15-1

:

3,5-Bis(methylthio)-4-isothiazolecarboxylic acid

Description:
3,5-Bis(methylthio)-4-isothiazolecarboxylic acid, with the CAS number 4886-15-1, is a heterocyclic compound characterized by its isothiazole ring structure, which incorporates sulfur and nitrogen atoms. This compound features two methylthio groups attached to the 3 and 5 positions of the isothiazole ring, contributing to its unique chemical properties. The presence of a carboxylic acid functional group at the 4-position enhances its reactivity and solubility in polar solvents. Typically, compounds of this nature exhibit biological activity, making them of interest in agricultural and pharmaceutical applications, particularly as potential fungicides or herbicides. The methylthio groups can influence the compound's lipophilicity and overall stability. Additionally, the isothiazole framework is known for its ability to participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. Overall, 3,5-Bis(methylthio)-4-isothiazolecarboxylic acid is a versatile compound with significant implications in chemical synthesis and biological activity.
Formula:C6H7NO2S3
InChI:InChI=1S/C6H7NO2S3/c1-10-4-3(5(8)9)6(11-2)12-7-4/h1-2H3,(H,8,9)
InChI key:InChIKey=IQFPLSISGDGBMJ-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C(SC)=NSC1SC
Synonyms:
  • 3,5-Bis(methylthio)-4-isothiazolecarboxylic acid
  • 3,5-Bis-methylsulfanyl-isothiazole-4-carboxylic acid
  • 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-
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