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N-Carbamoyl-N'-acetyl-S-methylisothiourea
SpectraBase Compound ID 5xWsLabWE6l
InChI InChI=1S/C5H9N3O2S/c1-3(9)7-5(11-2)8-4(6)10/h1-2H3,(H3,6,7,8,9,10)
InChIKey MXUJLQOUBMHQCW-UHFFFAOYSA-N
Mol Weight 175.21 g/mol
Molecular Formula C5H9N3O2S
Exact Mass 175.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B72JT422YUb
Name N-Carbamoyl-N'-acetyl-S-methylisothiourea
Alternate Name(s) Methyl N-acetyl-N'-[(Z)-amino(oxo)methyl]imidothiocarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9N3O2S
InChI InChI=1S/C5H9N3O2S/c1-3(9)7-5(11-2)8-4(6)10/h1-2H3,(H3,6,7,8,9,10)
InChIKey MXUJLQOUBMHQCW-UHFFFAOYSA-N
Molecular Weight 175.206 g/mol
SMILES N(\C(=N\C(=O)N)SC)C(=O)C
SPLASH splash10-000f-9400000000-e3b705348c66ff4348e2
Source of Spectrum H1-43-843-3
Wiley ID 758068