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4-amino-5-(4-isopropyl-1,3-thiazol-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID BdagaC6hsc7
InChI InChI=1S/C8H11N5S2/c1-4(2)5-3-15-7(10-5)6-11-12-8(14)13(6)9/h3-4H,9H2,1-2H3,(H,12,14)
InChIKey XFQYXBOVHAGELG-UHFFFAOYSA-N
Mol Weight 241.33 g/mol
Molecular Formula C8H11N5S2
Exact Mass 241.045588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0zDbTajcUM
Name 4-amino-5-(4-isopropyl-1,3-thiazol-2-yl)-4H-1,2,4-triazole-3-thiol
Comments Less than 3 mono-isotopic peaks
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Formula C8H11N5S2
InChI InChI=1S/C8H11N5S2/c1-4(2)5-3-15-7(10-5)6-11-12-8(14)13(6)9/h3-4H,9H2,1-2H3,(H,12,14)
InChIKey XFQYXBOVHAGELG-UHFFFAOYSA-N
Molecular Weight 241.331 g/mol
SMILES Sc1nnc([n]1N)-c1nc(C(C)C)cs1
SPLASH splash10-0006-0090000000-0d7085b4d774dbab7948
Source of Spectrum F2-44-4744-4
Synonyms 4-amino-3-(4-propan-2-yl-2-thiazolyl)-1H-1,2,4-triazole-5-thione 4-amino-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-thione 4-azanyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-thione
Wiley ID 1706345