For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(Anilinomethylene)-2-thiobarbituric acid
SpectraBase Compound ID K1onuEPo1b7
InChI InChI=1S/C11H9N3O2S/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h1-6,12H,(H2,13,14,15,16,17)
InChIKey HXBBOMISRZLMIX-UHFFFAOYSA-N
Mol Weight 247.27 g/mol
Molecular Formula C11H9N3O2S
Exact Mass 247.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B3YmEV3VJBo
Name 5-(Anilinomethylene)-2-thiobarbituric acid
CAS Registry Number 69791-23-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O2S
InChI InChI=1S/C11H9N3O2S/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h1-6,12H,(H2,13,14,15,16,17)
InChIKey HXBBOMISRZLMIX-UHFFFAOYSA-N
Molecular Weight 247.272 g/mol
SMILES N1C(NC(C(=CNc2ccccc2)C1=O)=O)=S
SPLASH splash10-002g-9310000000-a5cae577c2706e1a8244
Synonyms 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-(anilinomethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione (5Z)-6-hydroxy-5-[(phenylamino)methylidene]-2-sulfanylpyrimidin-4(5H)-one 5-((phenylamino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 5-[(phenylamino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Wiley ID 1468764