Propyl isothiocyanate

CAS Registry Number®

628-30-8
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CAS Name

Propyl isothiocyanate

Molecular Formula

C4H7NS

Molecular Mass

101.17

Cite this Page

Propyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=628-30-8 (retrieved 2024-04-27) (CAS RN: 628-30-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    153 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3

InChIKey

InChIKey=KKASGUHLXWAKEZ-UHFFFAOYSA-N

SMILES

C(N=C=S)CC

Canonical SMILES

S=C=NCCC

Other Names for this Substance

  • Propane, 1-isothiocyanato-
  • Isothiocyanic acid, propyl ester
  • 1-Isothiocyanatopropane
  • Propyl isothiocyanate
  • n-Propyl isothiocyanate

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