Benzoic acid, 4-isothiocyanato-, ethyl ester

CAS Registry Number®

1205-06-7

CAS Name

Benzoic acid, 4-isothiocyanato-, ethyl ester

Molecular Formula

C10H9NO2S

Molecular Mass

207.25

Cite this Page

Benzoic acid, 4-isothiocyanato-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1205-06-7 (retrieved 2024-11-22) (CAS RN: 1205-06-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    123-127 °C @ Press: 0.1 Torr

  • Melting Point (2)

    98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3

InChIKey

InChIKey=MLOJHUCMCKBDLV-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC=C(N=C=S)C=C1

Canonical SMILES

O=C(OCC)C1=CC=C(N=C=S)C=C1

Other Names for this Substance

  • Benzoic acid, 4-isothiocyanato-, ethyl ester
  • Benzoic acid, p-isothiocyanato-, ethyl ester
  • 4-Carbethoxyphenyl isothiocyanate
  • 4-(Ethoxycarbonyl)phenyl isothiocyanate
  • p-Carbethoxyphenyl isothiocyanate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration