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

*Links on SpectraBase are not permalinks.
1H-1,2,4-Triazole, 3-(methylthio)-1-[1-[5-(methylthio)-1H-1,2,4-triazol-1-yl]ethyl]-
SpectraBase Compound ID 3bA1h9wpk7q
InChI InChI=1S/C8H12N6S2/c1-6(13-5-10-7(12-13)15-2)14-8(16-3)9-4-11-14/h4-6H,1-3H3
InChIKey LIZORJZXMZURRB-UHFFFAOYSA-N
Mol Weight 256.35 g/mol
Molecular Formula C8H12N6S2
Exact Mass 256.056487 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 5yJmt61wnFc
Name 1H-1,2,4-Triazole, 3-(methylthio)-1-[1-[5-(methylthio)-1H-1,2,4-triazol-1-yl]ethyl]-
Alternate Name(s) 1-(3'-Methylthio-1'h-1',2',4'-triazol-1'-yl)-1-(5'-methylthio-1''h-1'',2'',4''-triazol-1''-yl)ethane 3-(methylsulfanyl)-1-{1-[5-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]ethyl}-1H-1,2,4-triazole
CAS Registry Number 118718-16-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N6S2
InChI InChI=1S/C8H12N6S2/c1-6(13-5-10-7(12-13)15-2)14-8(16-3)9-4-11-14/h4-6H,1-3H3
InChIKey LIZORJZXMZURRB-UHFFFAOYSA-N
Molecular Weight 256.346 g/mol
SMILES C([n]1c(ncn1)SC)([n]1nc(SC)nc1)C
SPLASH splash10-0006-0930000000-7ec1d891d3f2d2bb01f6
Source of Spectrum KC-1988-1902-8
Wiley ID 1259160