Product Name2-Pyrimidinyl thiocyanate
Molecular FormulaC5H3N3S
Molecular Weight137.16242
InChIInChI=1S/C5H3N3S/c6-4-9-5-7-2-1-3-8-5/h1-3H
InChIKey RTSBUFRXTFPHEH-UHFFFAOYSA-N
SmilesC1(SC#N)=NC=CC=N1
-
Parameter ppm Hz
D(A) 8.84 D(B) 7.55 J(A,B) 5.00 GRONOWITZ,S. ET AL. ARK.KEMI. 22, 65 (1963)Spectral Code: 1H NMR : parameter in acetone