Butyl isothiocyanate

CAS Registry Number®

592-82-5

CAS Name

Butyl isothiocyanate

Molecular Formula

C5H9NS

Molecular Mass

115.20

Cite this Page

Butyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=592-82-5 (retrieved 2025-04-06) (CAS RN: 592-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    50 °C @ Press: 7 Torr

  • Melting Point (2)

    115 °C

  • Density (3)

    0.9546 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3

InChIKey

InChIKey=LIMQQADUEULBSO-UHFFFAOYSA-N

SMILES

C(CCC)N=C=S

Canonical SMILES

S=C=NCCCC

Other Names for this Substance

  • Butane, 1-isothiocyanato-
  • Isothiocyanic acid, butyl ester
  • 1-Isothiocyanatobutane
  • Butyl isothiocyanate
  • Butyl mustard oil

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CAS INSIGHTSTM
Cell Membrane Phospholipid Structure,Phospholipid bilayer of the cell membrane, Lipid bilayer