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3-Chloro-2-ethylthio-4-oxo-4H-pyrimido[2,1-b]benzothiazole

View entire compound with spectra: 1 MS (GC)

3-Chloro-2-ethylthio-4-oxo-4H-pyrimido[2,1-b]benzothiazole
SpectraBase Compound ID 6hIq7cu5Gq0
InChI InChI=1S/C12H9ClN2OS2/c1-2-17-10-9(13)11(16)15-7-5-3-4-6-8(7)18-12(15)14-10/h3-6H,2H2,1H3
InChIKey VTLOFUDHAXEYOG-UHFFFAOYSA-N
Mol Weight 296.79 g/mol
Molecular Formula C12H9ClN2OS2
Exact Mass 295.984483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49jEhxa11P6
Name 3-Chloro-2-ethylthio-4-oxo-4H-pyrimido[2,1-b]benzothiazole
Alternate Name(s) 3-Chloro-2-(ethylsulfanyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN2OS2
InChI InChI=1S/C12H9ClN2OS2/c1-2-17-10-9(13)11(16)15-7-5-3-4-6-8(7)18-12(15)14-10/h3-6H,2H2,1H3
InChIKey VTLOFUDHAXEYOG-UHFFFAOYSA-N
Molecular Weight 296.790 g/mol
SMILES C1=2N(C(C(=C(N2)SCC)Cl)=O)c2c(S1)cccc2
SPLASH splash10-01ot-0090000000-762c49bb21088c322afe
Source of Spectrum AH-127-1279-13
Wiley ID 1298647