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7-Phenyl-1-methyl-3,6-bis(methylthio)-1,2,4-triazolo[4,3-b]-1,2,4-triazolium iodide

View entire compound with spectra: 1 MS (GC)

7-Phenyl-1-methyl-3,6-bis(methylthio)-1,2,4-triazolo[4,3-b]-1,2,4-triazolium iodide
SpectraBase Compound ID 2BBYzKdSunk
InChI InChI=1S/C12H14N5S2.HI/c1-15-12-16(9-7-5-4-6-8-9)10(18-2)14-17(12)11(13-15)19-3;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKey MOFLASCPZJGOKF-UHFFFAOYSA-M
Mol Weight 419.3 g/mol
Molecular Formula C12H14IN5S2
Exact Mass 418.973533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cIl8z9vYpf
Name 7-Phenyl-1-methyl-3,6-bis(methylthio)-1,2,4-triazolo[4,3-b]-1,2,4-triazolium iodide
Alternate Name(s) 1-Methyl-3,6-bis(methylsulfanyl)-7-phenyl-1H,7H-[1,2,4]triazolo[5,1-c][1,2,4]triazol-4-ium iodide 1-Methyl-3,6-dimethylthio-7-phenyl-1,2,4-triazolo(4,3-b)-1,2,4-triazol-4-ium iodide
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Formula C12H14IN5S2
InChI InChI=1S/C12H14N5S2.HI/c1-15-12-16(9-7-5-4-6-8-9)10(18-2)14-17(12)11(13-15)19-3;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKey MOFLASCPZJGOKF-UHFFFAOYSA-M
Molecular Weight 419.303 g/mol
SMILES [I-].c12[n+](nc([n]2-c2ccccc2)SC)c(n[n]1C)SC
SPLASH splash10-004m-6930000000-70330309e9096dc4bddd
Source of Spectrum F-42-2126-3
Wiley ID 1377525