Isopropyl isothiocyanate

CAS Registry Number®

2253-73-8

CAS Name

Isopropyl isothiocyanate

Molecular Formula

C4H7NS

Molecular Mass

101.17

Cite this Page

Isopropyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2253-73-8 (retrieved 2024-11-22) (CAS RN: 2253-73-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    138 °C

  • Density (2)

    0.9475 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3

InChIKey

InChIKey=VHBFEIBMZHEWSX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC(C)C

Other Names for this Substance

  • Propane, 2-isothiocyanato-
  • Isothiocyanic acid, isopropyl ester
  • 2-Isothiocyanatopropane
  • Isopropyl isothiocyanate
  • 2-Propyl isothiocyanate

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