3-Pyridyl isothiocyanate
CAS Registry Number®
17452-27-6
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CAS Name
3-Pyridyl isothiocyanateMolecular Formula
C6H4N2SMolecular Mass
136.17Cite 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 ) (CAS RN: 17452-27-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
231-233 °CMelting Point (2)
106.5-108 °C
Source(s)
- (1) Fairfull, A. E. S.; Journal of the Chemical Society, (1955), 796-802, CAplus
- (2) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
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