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

*Links on SpectraBase are not permalinks.

1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 7-(4-chlorophenyl)-5,6-dihydro-1-methyl-3-(methylthio)-6-thioxo-, hydroxide, inner salt

View entire compound with spectra: 1 MS (GC)

1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 7-(4-chlorophenyl)-5,6-dihydro-1-methyl-3-(methylthio)-6-thioxo-, hydroxide, inner salt
SpectraBase Compound ID 9q6By3s69HU
InChI InChI=1S/C11H10ClN5S2/c1-15-11-16(8-5-3-7(12)4-6-8)9(18)13-17(11)10(14-15)19-2/h3-6H,1-2H3/q+1
InChIKey UECLNABGPZKQTA-UHFFFAOYSA-N
Mol Weight 311.81 g/mol
Molecular Formula C11H10ClN5S2
Exact Mass 311.006615 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 CfYcCt06qU2
Name 1H-1,2,4-Triazolo[4,3-b][1,2,4]triazolium, 7-(4-chlorophenyl)-5,6-dihydro-1-methyl-3-(methylthio)-6-thioxo-, hydroxide, inner salt
CAS Registry Number 107841-13-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClN5S2
InChI InChI=1S/C11H10ClN5S2/c1-15-11-16(8-5-3-7(12)4-6-8)9(18)13-17(11)10(14-15)19-2/h3-6H,1-2H3/q+1
InChIKey UECLNABGPZKQTA-UHFFFAOYSA-N
Molecular Weight 311.809 g/mol
SMILES c12[n+](=NC(N2c2ccc(cc2)Cl)=S)c(n[n]1C)SC
SPLASH splash10-004i-9870000000-781f6bdaf9041c2e71d2
Source of Spectrum F-42-2125-2
Synonyms 1-Methyl-3-methylthio-7-(4-chlorophenyl)-1,2,4-triazolo(4,3-b)-1,2,4-triazol-4-ium 6-sulfide 7-p-chlorophenyl-1-methyl-3-methylthio-6-mercapto-1,2,4-triazolo[4,3-b]-1,2,4-triazole hydroxyde 7-(4-Chlorophenyl)-1-methyl-3-(methylsulfanyl)-6-sulfanylidene-1H,6H,7H-1,2,5,7,4000000-[1,2,4]triazolo[5,1-c][1,2,4]triazol-4-ylium
Wiley ID 1312190