3-Picolylisothiocyanate

CAS Registry Number®

36810-90-9

CAS Name

3-Picolylisothiocyanate

Molecular Formula

C7H6N2S

Molecular Mass

150.20

Cite this Page

3-Picolylisothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36810-90-9 (retrieved 2024-11-25) (CAS RN: 36810-90-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    90 °C @ Press: 3.5 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C7H6N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4H,5H2

InChIKey

InChIKey=BDSYDRBQHFQOQG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pyridine, 3-(isothiocyanatomethyl)-
  • 3-(Isothiocyanatomethyl)pyridine
  • 3-Picolylisothiocyanate
  • 3-Pyridylmethyl isothiocyanate

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