EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166499 - 1-(2-Thienyl)-1-heptanone

ChEBI IDCHEBI:166499
ChEBI Name1-(2-Thienyl)-1-heptanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16OS
Net Charge0
Average Mass196.315
Monoisotopic Mass196.09219
SMILESCCCCCCC(=O)c1cccs1
InChIInChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
InChIKeyBDNFJEMAAFFMFH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(2-Thienyl)-1-heptanone (CHEBI:166499) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-thiophen-2-ylheptan-1-one
Manual XrefsDatabases
HMDB0040241HMDB
124910ChemSpider
Registry NumbersSources
CAS:30711-40-1ChemIDplus