Isobutyl isothiocyanate

CAS Registry Number®

591-82-2

CAS Name

Isobutyl isothiocyanate

Molecular Formula

C5H9NS

Molecular Mass

115.20

Cite this Page

Isobutyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=591-82-2 (retrieved 2024-11-21) (CAS RN: 591-82-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3

InChIKey

InChIKey=NSDDRJXKROCWRZ-UHFFFAOYSA-N

SMILES

C(C(C)C)N=C=S

Canonical SMILES

S=C=NCC(C)C

Other Names for this Substance

  • Propane, 1-isothiocyanato-2-methyl-
  • Isothiocyanic acid, isobutyl ester
  • 1-Isothiocyanato-2-methylpropane
  • Isobutyl isothiocyanate
  • 2-Methyl-1-propyl isothiocyanate

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration