Hexadecane, 1-isothiocyanato-

CAS Registry Number®

4426-87-3
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CAS Name

Hexadecane, 1-isothiocyanato-

Molecular Formula

C17H33NS

Molecular Mass

283.52

Cite this Page

Hexadecane, 1-isothiocyanato-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4426-87-3 (retrieved 2024-04-29) (CAS RN: 4426-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    180-194 °C @ Press: 0.35 Torr

  • Density (2)

    0.8870 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3

InChIKey

InChIKey=KLULJVSOVKADRQ-UHFFFAOYSA-N

SMILES

C(CCCCCCCCC)CCCCCCN=C=S

Canonical SMILES

S=C=NCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Hexadecane, 1-isothiocyanato-
  • Isothiocyanic acid, hexadecyl ester
  • Hexadecyl isothiocyanate
  • 1-Isothiocyanatohexadecane

CAS INSIGHTSTM
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