Ethyl 3-isothiocyanatobenzoate
CAS Registry Number®
3137-84-6
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CAS Name
Ethyl 3-isothiocyanatobenzoateMolecular Formula
C10H9NO2SMolecular Mass
207.25Cite 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 ) (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