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CAS 5331-91-9

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5-Chloro-2-mercaptobenzothiazole

Description:
5-Chloro-2-mercaptobenzothiazole (CAS 5331-91-9) is an organic compound that belongs to the class of benzothiazole derivatives. It features a benzothiazole ring system, which is characterized by a fused benzene and thiazole ring, and contains a chlorine atom and a thiol (-SH) group. This compound is typically a solid at room temperature and is known for its pale yellow to light brown appearance. It is soluble in organic solvents but has limited solubility in water. 5-Chloro-2-mercaptobenzothiazole is primarily used as a rubber accelerator and a biocide, particularly in the preservation of materials and in agricultural applications. Its mercapto group contributes to its reactivity, making it useful in various chemical reactions. Additionally, it exhibits antimicrobial properties, which can be beneficial in preventing the growth of bacteria and fungi. However, safety precautions are necessary when handling this compound, as it may pose health risks, including skin and respiratory irritation.
Formula:C7H4ClNS2
InChI:InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI key:InChIKey=NKYDKCVZNMNZCM-UHFFFAOYSA-N
SMILES:S=C1SC=2C(N1)=CC(Cl)=CC2
Synonyms:
  • 2(3H)-Benzothiazolethione, 5-chloro-
  • 2(3H)-Benzothiazolethione,4-chloro-(9CI)
  • 2-Benzothiazolethiol, 5-chloro-
  • 2-Mercapto-5-Chloro Benzothiazole
  • 2-Mercapto-5-chlorobenzothiazole
  • 5-Chloro-1,3-benzothiazole-2-thiol
  • 5-Chloro-2(3H)-benzothiazolethione
  • 5-Chloro-2-benzothiazolethiol
  • 5-Chloro-2-mercaptobenzo[d]thiazole
  • 5-Chloro-2-mercaptobenzthiazol
  • See more synonyms
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