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Histidine N-methylthiourea

View entire compound with spectra: 1 MS (GC)

Histidine N-methylthiourea
SpectraBase Compound ID DebCJT2OTYm
InChI InChI=1S/C8H12N4O2S/c1-9-8(15)12-6(7(13)14)2-5-3-10-4-11-5/h3-4,6H,2H2,1H3,(H,10,11)(H,13,14)(H2,9,12,15)
InChIKey QZVHUXLAKPCNPM-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C8H12N4O2S
Exact Mass 228.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXNHZqXnj40
Name Histidine N-methylthiourea
Alternate Name(s) N-[(methylamino)carbothioyl]histidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N4O2S
InChI InChI=1S/C8H12N4O2S/c1-9-8(15)12-6(7(13)14)2-5-3-10-4-11-5/h3-4,6H,2H2,1H3,(H,10,11)(H,13,14)(H2,9,12,15)
InChIKey QZVHUXLAKPCNPM-UHFFFAOYSA-N
Molecular Weight 228.270 g/mol
SMILES N(C(Cc1[nH]cnc1)C(=O)O)C(=S)NC
SPLASH splash10-08fr-0690000000-18f2f7f077626fe7c241
Source of Spectrum AV-53-117-1
Wiley ID 1229071