3-(methylthio)phenylisocyanate

Catalog No. :
ACQBHY064
CAS No. :
28479-19-8
Molecular Formula :
C8H7NOS
Molecular Weight :
165.22

IUPAC Name:(3-isocyanatophenyl)(methyl)sulfane

3-(methylthio)phenylisocyanate structure diagram
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Product Information

Product Name3-(methylthio)phenylisocyanate
IUPAC Name(3-isocyanatophenyl)(methyl)sulfane
MDL No.MFCD00013863
Molecular FormulaC8H7NOS
Molecular Weight165.22
SMILESCSC1=CC(N=C=O)=CC=C1
InChI KeyBKJABLMNBSVKCV-UHFFFAOYSA-N
Synonym1-Isocyanato-3-(methylsulfanyl)benzene;3-(METHYLTHIO)PHENYL ISOCYANATE;1-Isocyanato-3-(methylsulphanyl)benzene, 3-Isocyanatophenyl methyl sulphide;Benzene, 1-isocyanato-3-(methylthio)-;3-(Methylthio)phenyl isocyanate-96%
CAS No.28479-19-8

Safety Data

Pictogram
ToxicHarmful or irritant
Signal Word
Gefahr
Hazard Statement(s)
H301-H315-H319-H335
Precautionary Statement(s)
P261-P301+P310-P305+P351+P338-P402+P404

Synthetic Route by SureRoute

1. ACQBHY064 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACQBHY064 route product structure diagram
    ACQBHY06428479-19-8
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2. ACQBHY064 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACHJTM495 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Plus
  5. reactant_3 route compound structure diagram
    --
  6. Then
  7. ACQBHY064 route product structure diagram
    ACQBHY06428479-19-8
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