For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-cyano-4-Imino-2-methylthio-4H-pyrimido[2,1-b][1,3]benzothiazole
SpectraBase Compound ID 9CvaPwb7ar2
InChI InChI=1S/C12H8N4S2/c1-17-11-7(6-13)10(14)16-8-4-2-3-5-9(8)18-12(16)15-11/h2-5,14H,1H3
InChIKey YUJMMVVUABASGQ-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C12H8N4S2
Exact Mass 272.019039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 254d29cl3Jn
Name 3-cyano-4-Imino-2-methylthio-4H-pyrimido[2,1-b][1,3]benzothiazole
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N4S2
InChI InChI=1S/C12H8N4S2/c1-17-11-7(6-13)10(14)16-8-4-2-3-5-9(8)18-12(16)15-11/h2-5,14H,1H3
InChIKey YUJMMVVUABASGQ-UHFFFAOYSA-N
Instrument Name FT VG-7070 H
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.a22
Molecular Weight 272.344 g/mol
SMILES N=C1C(C#N)=C(N=C2Sc3c(N12)cccc3)SC
SPLASH splash10-00fr-0090000000-28a9b2bab1431767314f
Source of Spectrum ARK-2006-194-3
Wiley ID 1871142