1-Isothiocyanatooctane

CAS Registry Number®

4430-45-9

CAS Name

1-Isothiocyanatooctane

Molecular Formula

C9H17NS

Molecular Mass

171.30

Cite this Page

1-Isothiocyanatooctane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4430-45-9 (retrieved 2024-11-22) (CAS RN: 4430-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    123 °C @ Press: 12 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3

InChIKey

InChIKey=YEZHGQZHWKJPCM-UHFFFAOYSA-N

SMILES

C(CCCCC)CCN=C=S

Canonical SMILES

S=C=NCCCCCCCC

Other Names for this Substance

  • Octane, 1-isothiocyanato-
  • Isothiocyanic acid, octyl ester
  • 1-Isothiocyanatooctane
  • Octyl isothiocyanate
  • n-Octyl isothiocyanate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration