3-Pyridyl isothiocyanate

CAS Registry Number®

17452-27-6

CAS Name

3-Pyridyl isothiocyanate

Molecular Formula

C6H4N2S

Molecular Mass

136.18

Cite this Page

3-Pyridyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17452-27-6 (retrieved 2025-04-17) (CAS RN: 17452-27-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    108-109 °C @ Press: 9 Torr

  • Melting Point (2)

    179-180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H4N2S/c9-5-8-6-2-1-3-7-4-6/h1-4H

InChIKey

InChIKey=VMSZFBSYWXMXRF-UHFFFAOYSA-N

SMILES

N(=C=S)C=1C=CC=NC1

Canonical SMILES

S=C=NC=1C=NC=CC1

Other Names for this Substance

  • Pyridine, 3-isothiocyanato-
  • Isothiocyanic acid, 3-pyridyl ester
  • 3-Isothiocyanatopyridine
  • 3-Pyridyl isothiocyanate
  • Pyridin-3-yl isothiocyanate

CAS INSIGHTSTM
Cell Membrane Phospholipid Structure,Phospholipid bilayer of the cell membrane, Lipid bilayer