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CAS 51333-80-3

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3-(Methylthio)phenyl isothiocyanate

Description:
3-(Methylthio)phenyl isothiocyanate is an organic compound characterized by the presence of both a phenyl ring and an isothiocyanate functional group. Its molecular structure features a methylthio group (-S-CH3) attached to the phenyl ring, which influences its chemical reactivity and biological properties. This compound is typically a yellow to brown liquid or solid, depending on its purity and temperature. It is known for its pungent odor, characteristic of isothiocyanates, which are often associated with mustard oil and cruciferous vegetables. 3-(Methylthio)phenyl isothiocyanate exhibits potential biological activities, including antimicrobial and anticancer properties, making it of interest in pharmaceutical and agricultural research. It is soluble in organic solvents but has limited solubility in water. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure. Proper storage in a cool, dry place away from light is recommended to maintain its stability and efficacy.
Formula:C8H7NS2
InChI:InChI=1/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
SMILES:CSc1cccc(c1)N=C=S
Synonyms:
  • 1-Isothiocyanato-3-(Methylsulfanyl)Benzene
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