1-Isothiocyanatooctadecane

CAS Registry Number®

2877-26-1

CAS Name

1-Isothiocyanatooctadecane

Molecular Formula

C19H37NS

Molecular Mass

311.57

Cite this Page

1-Isothiocyanatooctadecane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2877-26-1 (retrieved 2024-11-24) (CAS RN: 2877-26-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140-142 °C @ Press: 3 x 10-3 Torr

  • Density (1)

    0.8854 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3

InChIKey

InChIKey=VJIRSSFEIRFISD-UHFFFAOYSA-N

SMILES

C(CCCCCCCCCC)CCCCCCCN=C=S

Canonical SMILES

S=C=NCCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Octadecane, 1-isothiocyanato-
  • Isothiocyanic acid, octadecyl ester
  • 1-Isothiocyanatooctadecane
  • Octadecyl isothiocyanate

CAS INSIGHTSTM
Hourglass and a clock