EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:568802 - 2-(4-methoxyphenyl)-2-oxoethyl dithiobutyrate

ChEBI IDCHEBI:568802
ChEBI Name2-(4-methoxyphenyl)-2-oxoethyl dithiobutyrate
Stars
DefinitionThe thioester formed between dithiobutyric acid and 1-(4-methoxyphenyl)-2-sulfanylethanone.
Last Modified20 July 2010
DownloadsMolfile
FormulaC13H16O2S2
Net Charge0
Average Mass268.403
Monoisotopic Mass268.05917
SMILESCCCC(=S)SCC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H16O2S2/c1-3-4-13(16)17-9-12(14)10-5-7-11(15-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyAZUXMHLRMMAHNL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(4-methoxyphenyl)-2-oxoethyl dithiobutyrate (CHEBI:568802) is a dithioester (CHEBI:59785)
IUPAC Name 
2-(4-methoxyphenyl)-2-oxoethyl butane(dithioate)
Synonym  Source
2-(p-methoxyphenyl)-2-oxoethyl dithiobutyrateChEBI
Registry NumbersSources
Beilstein:11686061Beilstein
Citations