4-Methoxybenzyl isothiocyanate

CAS Registry Number®

3694-57-3

CAS Name

4-Methoxybenzyl isothiocyanate

Molecular Formula

C9H9NOS

Molecular Mass

179.24

Cite this Page

4-Methoxybenzyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3694-57-3 (retrieved 2024-11-22) (CAS RN: 3694-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    133 °C @ Press: 0.7 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3

InChIKey

InChIKey=IMFQYAJJXFXVMM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NCC1=CC=C(OC)C=C1

Other Names for this Substance

  • Benzene, 1-(isothiocyanatomethyl)-4-methoxy-
  • Isothiocyanic acid, p-methoxybenzyl ester
  • 1-(Isothiocyanatomethyl)-4-methoxybenzene
  • p-Methoxybenzyl isothiocyanate
  • 4-Methoxybenzyl isothiocyanate

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Deleted or Replaced CAS Registry Numbers

2484718-24-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration