EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228597 - 1-[3-(trifluoromethyl)-2-pyridyl]imidazolidine-2-thione

Default Structure
ChEBI IDCHEBI:228597
ChEBI Name1-[3-(trifluoromethyl)-2-pyridyl]imidazolidine-2-thione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8F3N3S
Net Charge0
Average Mass247.245
Monoisotopic Mass247.03910
SMILESFC(F)(F)c1cccnc1N1CCNC1=S
InChIInChI=1S/C9H8F3N3S/c10-9(11,12)6-2-1-3-13-7(6)15-5-4-14-8(15)16/h1-3H,4-5H2,(H,14,16)
InChIKeyBXZLWAHDCIHYNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
1-[3-(trifluoromethyl)-2-pyridyl]imidazolidine-2-thione (CHEBI:228597) is a pyridines (CHEBI:26421)
IUPAC Name 
1-[3-(triluoromethyl)pyridin-2-yl]imidazolidine-2-thione
Manual XrefsDatabases
2074504ChemSpider