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CAS 1632-84-4

:

4-(Methylthio)phenyl isocyanate

Description:
4-(Methylthio)phenyl isocyanate, with the CAS number 1632-84-4, is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a phenyl ring that is further substituted with a methylthio group (-S-CH3). This compound typically appears as a colorless to pale yellow liquid and is known for its strong, pungent odor. It is soluble in organic solvents but has limited solubility in water. The presence of the isocyanate group makes it highly reactive, particularly with nucleophiles, which can lead to the formation of ureas and other derivatives. This reactivity is a key feature in its applications, particularly in the synthesis of various pharmaceuticals and agrochemicals. Additionally, 4-(Methylthio)phenyl isocyanate is considered hazardous, as it can cause irritation to the skin, eyes, and respiratory system, necessitating appropriate safety measures during handling and use.
Formula:C8H7NOS
InChI:InChI=1S/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChI key:InChIKey=QNKQBDZVEKZFBN-UHFFFAOYSA-N
SMILES:N(=C=O)C1=CC=C(SC)C=C1
Synonyms:
  • (4-Methylsulfanylphenyl)isocyanate
  • 1-Isocyanato-4-(Methylsulfanyl)Benzene
  • 1-Isocyanato-4-(Methylthio)Benzene
  • 1-Isocyanato-4-methylsulfanylbenzene
  • 4-(Methylsulfanyl)Phenyl Isocyanate
  • Benzene, 1-isocyanato-4-(methylthio)-
  • Isocyanic acid, p-(methylthio)phenyl ester
  • Sulfide, p-isocyanatophenyl methyl
  • p-(Methylthio)phenyl isocyanate
  • 4-(Methylthio)phenyl isocyanate
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