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1,5,7-Trimethyl-1H-1,2,4-triazolo(4,3-A)pyrimidinium-3-thiolate
SpectraBase Compound ID JoCCyG7Uu4G
InChI InChI=1S/C8H10N4S/c1-5-4-6(2)12-7(9-5)11(3)10-8(12)13/h4H,1-3H3
InChIKey QHWLYSGEDURCDZ-UHFFFAOYSA-N
Mol Weight 194.26 g/mol
Molecular Formula C8H10N4S
Exact Mass 194.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JNr9l1uvQG
Name 1,2,4-Triazolo[4,3-a]pyrimidinium, 2,3-dihydro-1,5,7-trimethyl-3-thioxo-, hydroxide, inner salt
CAS Registry Number 116060-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N4S
InChI InChI=1S/C8H10N4S/c1-5-4-6(2)12-7(9-5)11(3)10-8(12)13/h4H,1-3H3
InChIKey QHWLYSGEDURCDZ-UHFFFAOYSA-N
Molecular Weight 194.256 g/mol
SMILES c12[n](c([S-])n[n+]2C)C(C)=CC(=N1)C
SPLASH splash10-000l-0900000000-051356eb29f479ed8b94
Source of Spectrum KC-1988-355-5
Synonyms 1,5,7-Trimethyl-1H-1,2,4-triazolo[4,3-a]pyrimidinium-3-thiolate 1,5,7-trimethyl[1,2,4]triazolo[4,5-a]pyrimidin-1-ium-3-thiolate 1,5,7-trimethyl[1,2,4]triazolo[4,5-a]pyrimidin-1-ium-3-ylsulfide
Wiley ID 1190187