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3-Methylthio-4-methyl-1,2,4-triazole-5-one
SpectraBase Compound ID LNjrdKLnpqj
InChI InChI=1S/C4H7N3OS/c1-7-3(8)5-6-4(7)9-2/h1-2H3,(H,5,8)
InChIKey SUBCLGYPEJJNHN-UHFFFAOYSA-N
Mol Weight 145.18 g/mol
Molecular Formula C4H7N3OS
Exact Mass 145.030983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqochsnmRMl
Name 3-Methylthio-4-methyl-1,2,4-triazole-5-one
CAS Registry Number 53065-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7N3OS
InChI InChI=1S/C4H7N3OS/c1-7-3(8)5-6-4(7)9-2/h1-2H3,(H,5,8)
InChIKey SUBCLGYPEJJNHN-UHFFFAOYSA-N
Molecular Weight 145.180 g/mol
SMILES N1N=C(N(C1=O)C)SC
SPLASH splash10-0002-9800000000-0ae605e09dbb74d99a7f
Source of Spectrum EK-1999-729-0
Synonyms 4-Methyl-3-(methylthio)-1H-1,2,4-triazol-5-one 4-Methyl-3-methylsulfanyl-1H-1,2,4-triazol-5-one 4-Methyl-5-(methylsulfanyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Wiley ID 1143279