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CAS 2254-94-6

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3-Methyl-2(3H)-benzothiazolethione

Description:
3-Methyl-2(3H)-benzothiazolethione, with the CAS number 2254-94-6, is an organic compound characterized by its heterocyclic structure, which includes a benzothiazole moiety. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential applications. It is typically a yellow to brown solid at room temperature and is soluble in organic solvents. The presence of the methyl group enhances its lipophilicity, making it more soluble in non-polar environments. 3-Methyl-2(3H)-benzothiazolethione is known for its potential use in various fields, including pharmaceuticals and agrochemicals, due to its biological activity, which may include antimicrobial and antifungal properties. Additionally, its unique structure allows for further derivatization, making it a valuable intermediate in synthetic chemistry. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C8H7NS2
InChI:InChI=1S/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChI key:InChIKey=IRNRNPNZAKHEAW-UHFFFAOYSA-N
SMILES:CN1C=2C(SC1=S)=CC=CC2
Synonyms:
  • 2(3H)-Benzothiazolethione, 3-methyl-
  • 2,3-Dihydro-3-methyl-2-benzothiazolethione
  • 2-Benzothiazolinethione, 3-methyl-
  • 3-Methyl-1,3-benzothiazole-2-thione
  • 3-Methyl-1,3-benzothiazoline-2-thione
  • 3-Methyl-2(3H)-benzothiazolethione
  • 3-Methyl-2,3-dihydro-1,3-benzothiazole-2-thione
  • 3-Methyl-3H-benzothiazole-2-thione
  • 3-Methylbenzo[d]thiazole-2(3H)-thione
  • 3-Methylbenzo[d]thiazoline-2-thione
  • See more synonyms
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