Ethyl 3-isothiocyanatobenzoate

CAS Registry Number®

3137-84-6
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CAS Name

Ethyl 3-isothiocyanatobenzoate

Molecular Formula

C10H9NO2S

Molecular Mass

207.25

Cite this Page

Ethyl 3-isothiocyanatobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3137-84-6 (retrieved 2024-08-12) (CAS RN: 3137-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=MCHONYMFRSKTLR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)C=1C=CC=C(N=C=S)C1

Other Names for this Substance

  • Benzoic acid, 3-isothiocyanato-, ethyl ester
  • Benzoic acid, m-isothiocyanato-, ethyl ester
  • Ethyl 3-isothiocyanatobenzoate
  • 3-Ethoxycarbonylphenyl isothiocyanate
  • 3-Isothiocyanato-benzoic acid ethyl ester