Pentyl isothiocyanate

CAS Registry Number®

629-12-9

CAS Name

Pentyl isothiocyanate

Molecular Formula

C6H11NS

Molecular Mass

129.22

Cite this Page

Pentyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=629-12-9 (retrieved 2024-11-21) (CAS RN: 629-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    91-94 °C @ Press: 28-30 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3

InChIKey

InChIKey=SGHJUJBYMSVAJY-UHFFFAOYSA-N

SMILES

C(CN=C=S)CCC

Canonical SMILES

S=C=NCCCCC

Other Names for this Substance

  • Pentane, 1-isothiocyanato-
  • Isothiocyanic acid, pentyl ester
  • 1-Isothiocyanatopentane
  • Pentyl isothiocyanate
  • n-Pentyl isothiocyanate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration