3-Phenylpropyl isothiocyanate

CAS Registry Number®

2627-27-2
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CAS Name

3-Phenylpropyl isothiocyanate

Molecular Formula

C10H11NS

Molecular Mass

177.27

Cite this Page

3-Phenylpropyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2627-27-2 (retrieved 2024-04-29) (CAS RN: 2627-27-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    130 °C @ Press: 2 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

InChIKey

InChIKey=GRUOGLPIAPZLHJ-UHFFFAOYSA-N

SMILES

C(CCN=C=S)C1=CC=CC=C1

Canonical SMILES

S=C=NCCCC=1C=CC=CC1

Other Names for this Substance

  • Benzene, (3-isothiocyanatopropyl)-
  • Isothiocyanic acid, 3-phenylpropyl ester
  • (3-Isothiocyanatopropyl)benzene
  • Phenylpropyl mustard oil
  • 3-Phenylpropyl isothiocyanate

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