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CAS 99184-85-7

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2-[(2-Benzothiazolylmethyl)thio]acetic acid

Description:
2-[(2-Benzothiazolylmethyl)thio]acetic acid, with the CAS number 99184-85-7, is an organic compound characterized by the presence of a benzothiazole moiety linked to a thioether and an acetic acid functional group. This compound typically exhibits properties associated with both thioether and carboxylic acid functionalities, which can influence its solubility and reactivity. It is likely to be a solid at room temperature, with potential applications in pharmaceuticals or agrochemicals due to its unique structural features. The benzothiazole ring contributes to its biological activity, often associated with antimicrobial or antifungal properties. Additionally, the presence of the thioether group may enhance its ability to interact with biological targets. The compound's reactivity can be influenced by the acidic nature of the carboxylic acid group, allowing for potential derivatization or conjugation in various chemical reactions. Overall, 2-[(2-Benzothiazolylmethyl)thio]acetic acid represents a versatile structure with potential utility in medicinal chemistry and related fields.
Formula:C10H9NO2S2
InChI:InChI=1/C10H9NO2S2/c12-10(13)6-14-5-9-11-7-3-1-2-4-8(7)15-9/h1-4H,5-6H2,(H,12,13)
InChI key:InChIKey=AVOKVWUHYIHZBD-UHFFFAOYSA-N
SMILES:C(SCC(O)=O)C1=NC=2C(S1)=CC=CC2
Synonyms:
  • (Benzothiazol-2-ylmethylsulfanyl)-acetic acid
  • 2-(1,3-Benzothiazol-2-ylmethylsulfanyl)acetic acid
  • 2-[(1,3-Benzothiazol-2-ylmethyl)sulfanyl]acetic acid
  • 2-[(2-Benzothiazolylmethyl)thio]acetic acid
  • 2-[[(1,3-Benzothiazol-2-yl)methyl]sulfanyl]acetic acid
  • Acetic acid, (2-benzothiazolylmethylthio)-
  • Acetic acid, 2-[(2-benzothiazolylmethyl)thio]-
  • [(1,3-Benzothiazol-2-ylmethyl)sulfanyl]acetic acid
  • 2-((benzothiazol-2-yl)methylthio)acetic acid
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