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[1,2,4]Triazolo[1,5-a]pyrimidinium, 1,2-dihydro-5,7-dimethyl-3-propyl-2-thioxo-, hydroxide, inner salt
SpectraBase Compound ID s1Oxp0dNwg
InChI InChI=1S/C10H14N4S/c1-4-5-13-9-11-7(2)6-8(3)14(9)12-10(13)15/h6H,4-5H2,1-3H3
InChIKey DUTUVSUBNKRHME-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C10H14N4S
Exact Mass 222.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75XGJ3osiWW
Name [1,2,4]Triazolo[1,5-a]pyrimidinium, 1,2-dihydro-5,7-dimethyl-3-propyl-2-thioxo-, hydroxide, inner salt
CAS Registry Number 126085-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4S
InChI InChI=1S/C10H14N4S/c1-4-5-13-9-11-7(2)6-8(3)14(9)12-10(13)15/h6H,4-5H2,1-3H3
InChIKey DUTUVSUBNKRHME-UHFFFAOYSA-N
Molecular Weight 222.310 g/mol
SMILES c12[n+](nc([n]2CCC)[S-])c(cc(n1)C)C
SPLASH splash10-0089-0950000000-6b414d6b84c6a1164944
Source of Spectrum KC-1989-1731-3
Synonyms 5,7-Dimethyl-1-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-2-thiolate 5,7-Dimethyl-1-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-2-ylsulfide 5,7-Dimethyl-3-propyl[1,2,4]triazolo[1,5-a]pyrimidinium-2-thiolate
Wiley ID 1221909