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4-Amino-5-(1H-indol-2-yl)-1,2,4-triazol-3(2H)-thione
SpectraBase Compound ID E32xO7q53lH
InChI InChI=1S/C10H9N5S/c11-15-9(13-14-10(15)16)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,11H2,(H,14,16)
InChIKey OBULITBSESJPHK-UHFFFAOYSA-N
Mol Weight 231.28 g/mol
Molecular Formula C10H9N5S
Exact Mass 231.057866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66wvmL7LwPP
Name 4-Amino-5-(1H-indol-2-yl)-1,2,4-triazol-3(2H)-thione
Appearance Colorless stick crystals
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Formula C10H9N5S
InChI InChI=1S/C10H9N5S/c11-15-9(13-14-10(15)16)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,11H2,(H,14,16)
InChIKey OBULITBSESJPHK-UHFFFAOYSA-N
Instrument Name Finnigan MAT312, Jeol JMS.600H
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.399
Molecular Weight 231.277 g/mol
Reported Formula C10H9N5S
SMILES NN1C(c2[nH]c3c(c2)cccc3)=NNC1=S
SPLASH splash10-0006-0900000000-e72a03dfd55433c4c545
Source of Spectrum ARK-2016-77-3
Thin-Layer Chromatography Rf = 0.59 (EtOAc/n-hexane, 1:1)
Wiley ID 1845674