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4,6-DIHYDROXY-2-METHYL-MERCAPTOPYRIMIDINE;DIKETOFORM
SpectraBase Compound ID 4OpzXlrzkJW
InChI InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H2,1H3,(H,6,7,8,9)
InChIKey RIPUYOLXCQRHOZ-UHFFFAOYSA-N
Mol Weight 158.18 g/mol
Molecular Formula C5H6N2O2S
Exact Mass 158.014999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Tmlox8idAF
Name 2-(Methylsulfanyl)-4,6(3H,5H)-pyrimidinedione
Alternate Name(s) 2-(methylthio)-1H-pyrimidine-4,6-dione 2-(methylthio)-1H-pyrimidine-4,6-quinone 2-Methylsulfanyl-1H-pyrimidine-4,6-dione Pyrimidine-4,6(1H,5H)-dione, 2-(methylthio)-
CAS Registry Number 29639-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6N2O2S
InChI InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H2,1H3,(H,6,7,8,9)
InChIKey RIPUYOLXCQRHOZ-UHFFFAOYSA-N
Molecular Weight 158.175 g/mol
SMILES N1C(CC(N=C1SC)=O)=O
SPLASH splash10-00kf-9100000000-f06ce3a2f707ee6ec8d2
Source of Spectrum AD-0-2532-0
Wiley ID 1426998