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Sulfathiourea
SpectraBase Compound ID 7IaAnDX4Om0
InChI InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)
InChIKey UEMLYRZWLVXWRU-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C7H9N3O2S2
Exact Mass 231.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XI6EQFs7I8
Name Sulfathiourea
CAS Registry Number 515-49-1
Classification Pharmaceutical drug, chemotherapeutic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 231.013618888 u
Formula C7H9N3O2S2
InChI InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)
InChIKey UEMLYRZWLVXWRU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 231.288 g/mol
Nominal Mass 231 u
Quality 895
Retention Index 1796
SMILES NC=1C=CC(S(NC(=S)N)(=O)=O)=CC1
SPLASH splash10-05r3-3900000000-fc8b06780f2cb34fbaa8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-Sulfanilylthiourea Sulfathiocarbamid (4-Aminophenyl)sulfonylthiourea
Technique GC/MS
Wiley ID DD2024_003963