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CAS 13673-63-7

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3-Methyl-3H-benzoxazole-2-thione

Description:
3-Methyl-3H-benzoxazole-2-thione, with the CAS number 13673-63-7, is an organic compound characterized by its heterocyclic structure, which includes a benzoxazole ring fused with a thione functional group. This compound typically exhibits a pale yellow to light brown appearance and is soluble in organic solvents, such as ethanol and dimethyl sulfoxide, but has limited solubility in water. The presence of the thione group imparts unique chemical reactivity, making it a potential candidate for various applications in organic synthesis and medicinal chemistry. It may exhibit biological activity, including antimicrobial or antifungal properties, which can be attributed to its structural features. Additionally, 3-Methyl-3H-benzoxazole-2-thione can participate in various chemical reactions, such as nucleophilic substitutions and cyclizations, making it a versatile intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and usage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C8H7NOS
InChI:InChI=1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3
InChI key:InChIKey=VMOIPIVQHVFUFO-UHFFFAOYSA-N
SMILES:CN1C=2C(OC1=S)=CC=CC2
Synonyms:
  • 2(3H)-Benzoxazolethione, 3-methyl-
  • 2-Benzoxazolinethione, 3-methyl-
  • 3-Methyl-2(3H)-Benzoxazolethione
  • 3-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione
  • 3-Methyl-2-thioxo-2,3-dihydro-1,3-benzoxazole
  • 3-Methyl-3H-benzoxazole-2-thione
  • 3-Methylbenzoxazolethione
  • 3-Methylbenzoxazoline-2-thione
  • Benzoxazole-2(3H)-thione, 3-methyl-
  • N-Methylbenzoxazoline-2-thione
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