1,1-Dimethylethyl 4-isothiocyanatobenzoate

CAS Registry Number®

486415-37-6
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CAS Name

1,1-Dimethylethyl 4-isothiocyanatobenzoate

Molecular Formula

C12H13NO2S

Molecular Mass

235.30

Cite this Page

1,1-Dimethylethyl 4-isothiocyanatobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=486415-37-6 (retrieved 2024-05-03) (CAS RN: 486415-37-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13NO2S/c1-12(2,3)15-11(14)9-4-6-10(7-5-9)13-8-16/h4-7H,1-3H3

InChIKey

InChIKey=LXVVKZRNRVNESX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-isothiocyanato-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-isothiocyanatobenzoate
  • 4-Isothiocyanatobenzoic acid tert-butyl ester
  • 4-(tert-Butoxycarbonyl)phenyl isothiocyanate

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