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N-Methyl-1-[(1-methyl-5-mthylthio-1H-2-imidazolyl)thio](methylthio)methabimine isomer
SpectraBase Compound ID ASsase7L08I
InChI InChI=1S/C8H13N3S3/c1-9-8(13-4)14-7-10-5-6(12-3)11(7)2/h5H,1-4H3/b9-8+
InChIKey NJBGWFLSPIDTAO-CMDGGOBGSA-N
Mol Weight 247.39 g/mol
Molecular Formula C8H13N3S3
Exact Mass 247.027161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34vgnpcDbbb
Name N-Methyl-1-[(1-methyl-5-mthylthio-1H-2-imidazolyl)thio](methylthio)methabimine isomer
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 819551 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3S3
InChI InChI=1S/C8H13N3S3/c1-9-8(13-4)14-7-10-5-6(12-3)11(7)2/h5H,1-4H3/b9-8+
InChIKey NJBGWFLSPIDTAO-CMDGGOBGSA-N
Molecular Weight 247.393 g/mol
SMILES c1([n](c(SC)cn1)C)S\C(=N\C)SC
SPLASH splash10-00di-0960000000-ecf1614840abbf0365da
Source of Spectrum O1-35-924-7
Synonyms N-Methyl-1-[(1-methyl-5-mthylthio-1H-2-imidazolyl)thio](methylthio)methabimine N-Methyl[(1-methyl-5-methylthio-1H-imidazol-2-yl)thio]methylthiomethanimine N-Methyl-1-[(1-methyl-5-methylthio-1H-2-imidazolyl)thio](methylthio)methabimine isomer Methyl 1-methyl-5-(methylsulfanyl)-1H-imidazol-2-yl (E)-methyldithioimidocarbonate
Wiley ID 1821099