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Methimazole

View entire compound with spectra: 18 NMR, 7 FTIR, 1 Raman, and 8 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7b868gmaaRB
Name 2-Mercapto-1-methylimidazole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 301507
CAS Registry Number 60-56-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H6N2S
InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
InChIKey PMRYVIKBURPHAH-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Methimazole; 1-Methyl-2-imidazolethiol; 2-Mercapto-1-methylimidazole
Wiley ID SIAL_13CNMR_005893