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

*Links on SpectraBase are not permalinks.

7-P-bromophenyl-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-P-bromophenyl-1-methyl-3,6-bis(methylthio)1,2,4-triazolo[4,3-b]-1,2,4-triazolium iodide
SpectraBase Compound ID DKdGqcXT40A
InChI InChI=1S/C12H13BrN5S2.HI/c1-16-12-17(9-6-4-8(13)5-7-9)10(19-2)15-18(12)11(14-16)20-3;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKey RRHQKGSAMAWFSL-UHFFFAOYSA-M
Mol Weight 498.2 g/mol
Molecular Formula C12H13BrIN5S2
Exact Mass 496.884046 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 8zhhxLkVn5o
Name 7-P-bromophenyl-1-methyl-3,6-bis(methylthio)1,2,4-triazolo[4,3-b]-1,2,4-triazolium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrIN5S2
InChI InChI=1S/C12H13BrN5S2.HI/c1-16-12-17(9-6-4-8(13)5-7-9)10(19-2)15-18(12)11(14-16)20-3;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKey RRHQKGSAMAWFSL-UHFFFAOYSA-M
Molecular Weight 498.199 g/mol
SMILES [I-].c12[n+](nc([n]2-c2ccc(Br)cc2)SC)c(n[n]1C)SC
SPLASH splash10-004l-6903000000-177ec2fcb824ef2f52cc
Source of Spectrum F-42-2126-3
Synonyms 1-Methyl-3,6-dimethylthio-7-(4-bromophenyl)-1,2,4-triazeolo(4,3-b)-1,2,4-triazol-4-ium iodide 7-(4-bromophenyl)-1-methyl-3,6-bis(methylsulfanyl)-1H,7H-[1,2,4]triazolo[5,1-c][1,2,4]triazol-4-ium iodide
Wiley ID 1398371