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

*Links on SpectraBase are not permalinks.
4-Oxo-6-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
SpectraBase Compound ID 3AcpplM7fJs
InChI InChI=1S/C9H5N3OS2/c10-4-5-7(6-2-1-3-15-6)11-9(14)12-8(5)13/h1-3H,(H2,11,12,13,14)
InChIKey GLDIUGAQMAVELC-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C9H5N3OS2
Exact Mass 234.987404 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 EHkgj69SA6o
Name 4-Oxo-6-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CAS Registry Number 109532-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5N3OS2
InChI InChI=1S/C9H5N3OS2/c10-4-5-7(6-2-1-3-15-6)11-9(14)12-8(5)13/h1-3H,(H2,11,12,13,14)
InChIKey GLDIUGAQMAVELC-UHFFFAOYSA-N
Molecular Weight 235.279 g/mol
SMILES Oc1nc(nc(c1C#N)-c1sccc1)S
SPLASH splash10-08g3-9520000000-0209642ddcc8080acfbc
Source of Spectrum IY-2-4714-9
Synonyms 4-Hydroxy-2-sulfanyl-6-(thiophen-2-yl)pyrimidine-5-carbonitrile 4-keto-6-(2-thienyl)-2-thioxo-1H-pyrimidine-5-carbonitrile 4-Oxo-2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile 4-Oxidanylidene-2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile 4-Oxo-6-(2-thienyl)-2-thioxo-1H-pyrimidine-5-carbonitrile Pyrimidine-5-carbonitrile, 1,2,3,4-tetrahydro-4-oxo-6-(2-thienyl)-2-thioxo-
Wiley ID 1655132