4-Hydroxybenzyl isothiocyanate

CAS Registry Number®

2086-86-4
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CAS Name

4-Hydroxybenzyl isothiocyanate

Molecular Formula

C8H7NOS

Molecular Mass

165.21

Cite this Page

4-Hydroxybenzyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2086-86-4 (retrieved 2024-05-03) (CAS RN: 2086-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2

InChIKey

InChIKey=ATKWJXUJUNLTFU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Phenol, 4-(isothiocyanatomethyl)-
  • Isothiocyanic acid, p-hydroxybenzyl ester
  • 4-(Isothiocyanatomethyl)phenol
  • p-Hydroxybenzyl isothiocyanate
  • p-Hydroxybenzyl isocyanate

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