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Methimazole
SpectraBase Compound ID 8ZEUH6Mkn6x
InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
Mol Weight 114.17 g/mol
Molecular Formula C4H6N2S
Exact Mass 114.025169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gzh5Buh695n
Name Thiamazole @
CAS Registry Number 60-56-0
Classification Thyreostatic
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Exact Mass 114.025169375 u
Formula C4H6N2S
InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 114.166 g/mol
SMILES C1(N(C=CN1)C)=S
SPLASH splash10-03di-9600000000-787cc22406fd1c72f1e4
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: G P-I
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Carbimazole-M/artifact (thiamazole)
Technique GC/MS
Wiley ID MMPW6e_4703