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1-Benzoyl-2-thiobiuret
SpectraBase Compound ID LZ9OAfvBM5u
InChI InChI=1S/C9H9N3O2S/c10-8(14)12-9(15)11-7(13)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)
InChIKey XZWNNLCHQSTQJP-UHFFFAOYSA-N
Mol Weight 223.25 g/mol
Molecular Formula C9H9N3O2S
Exact Mass 223.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6B7PsiCpdW
Name 1-Benzoyl-2-thiobiuret
Alternate Name(s) N-(aminocarbonylcarbamothioyl)benzamide N-(carbamoylcarbamothioyl)benzamide N-(carbamoylthiocarbamoyl)benzamide N-[(carbamoylamino)-sulfanylidenemethyl]benzamide
CAS Registry Number 34277-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O2S
InChI InChI=1S/C9H9N3O2S/c10-8(14)12-9(15)11-7(13)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14,15)
InChIKey XZWNNLCHQSTQJP-UHFFFAOYSA-N
Molecular Weight 223.250 g/mol
SMILES N(C(NC(N)=O)=S)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-6a3e9a53eb73e595ade9
Source of Spectrum J-44-631-0
Wiley ID 96767