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CHEBI:131332 - 3-phenyl-5-thioxo-2,5-dihydro-1,2,3-oxadiazol-3-ium

ChEBI IDCHEBI:131332
ChEBI Name3-phenyl-5-thioxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
Stars
DefinitionA member of the class of oxadiazoles that is 1,2,3-oxadiazole carrying phenyl and thioxo substituents at positions 3 and 5 respectively.
Last Modified27 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC8H7N2OS
Net Charge+1
Average Mass179.224
Monoisotopic Mass179.02736
SMILESS=c1c[n+](-c2ccccc2)no1
InChIInChI=1S/C8H6N2OS/c12-8-6-10(9-11-8)7-4-2-1-3-5-7/h1-6H/p+1
InChIKeyKXNAEWAALYCLTQ-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS298)
- PubMed (26839171)
ChEBI Ontology
Outgoing Relation(s)
3-phenyl-5-thioxo-2,5-dihydro-1,2,3-oxadiazol-3-ium (CHEBI:131332) is a organic cation (CHEBI:25697)
3-phenyl-5-thioxo-2,5-dihydro-1,2,3-oxadiazol-3-ium (CHEBI:131332) is a oxadiazole (CHEBI:46685)
3-phenyl-5-thioxo-2,5-dihydro-1,2,3-oxadiazol-3-ium (CHEBI:131332) is a thiocarbonyl compound (CHEBI:50492)
IUPAC Name 
3-phenyl-5-sulfanylidene-2,5-dihydro-1,2,3-oxadiazol-3-ium
Manual XrefsDatabases
4886958ChemSpider