(S)-Methyl 2-isothiocyanato-3-phenylpropanoate

Catalog No. :
ACAYPX396
CAS No. :
88576-93-6
Molecular Formula :
C11H11NO2S
Molecular Weight :
221.28

IUPAC Name:methyl (S)-2-isothiocyanato-3-phenylpropanoate

(S)-Methyl 2-isothiocyanato-3-phenylpropanoate structure diagram
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Product Information

Product Name(S)-Methyl 2-isothiocyanato-3-phenylpropanoate
IUPAC Namemethyl (S)-2-isothiocyanato-3-phenylpropanoate
MDL No.MFCD09025713
Molecular FormulaC11H11NO2S
Molecular Weight221.28
SMILESO=C(OC)[C@@H](N=C=S)CC1=CC=CC=C1
InChI KeyXIAZBEQOUOVUEY-JTQLQIEISA-N
Synonym(S)-a-Isothiocyanato-Benzenepropanoic acid methyl ester;(S)-methyl 2-isothiocyanato-3-phenylpropanoate;Benzenepropanoic acid, α-isothiocyanato-, methyl ester, (αS)-;(S)-alpha-Isothiocyanato-benzenepropanoic acid methyl ester
CAS No.88576-93-6

Safety Data

Pictogram
ToxicHealth hazard
Signal Word
Gefahr
Hazard Statement(s)
H315-H317-H319-H330-H334-H335-H351-H412
Precautionary Statement(s)
P201-P202-P260-P264-P271-P272-P273-P280-P284-P302+P352-P304+P340+P310-P305+P351+P338-P308+P313-P333+P313-P337+P313-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACAYPX396 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  5. ACAYPX396 route product structure diagram
    ACAYPX39688576-93-6
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2. ACAYPX396 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACAYPX396 route product structure diagram
    ACAYPX39688576-93-6
Inquiry

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