5-(Isothiocyanatomethyl)-1,3-benzodioxole

CAS Registry Number®

4430-47-1
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CAS Name

5-(Isothiocyanatomethyl)-1,3-benzodioxole

Molecular Formula

C9H7NO2S

Molecular Mass

193.22

Cite this Page

5-(Isothiocyanatomethyl)-1,3-benzodioxole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4430-47-1 (retrieved 2024-04-26) (CAS RN: 4430-47-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-87 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO2S/c13-5-10-4-7-1-2-8-9(3-7)12-6-11-8/h1-3H,4,6H2

InChIKey

InChIKey=PUJWRDBPAFJUJW-UHFFFAOYSA-N

SMILES

C(N=C=S)C=1C=C2C(=CC1)OCO2

Canonical SMILES

S=C=NCC1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole, 5-(isothiocyanatomethyl)-
  • Isothiocyanic acid, piperonyl ester
  • 5-(Isothiocyanatomethyl)-1,3-benzodioxole
  • Piperonyl isothiocyanate
  • 3,4-Methylenedioxybenzyl isothiocyanate

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