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CHEBI:233958 - 6,8-bis(benzylsulfanyl)octanoic acid

ChEBI IDCHEBI:233958
ChEBI Name6,8-bis(benzylsulfanyl)octanoic acid
Stars
DefinitionAn organic sulfide that is 6,8-bis(mercapto)octanoic acid in which the two thiol groups at positions 6 and 8 are substituted by benzyl groups.
Last Modified3 April 2025
SubmitterAdnan
DownloadsMolfile
FormulaC22H28O2S2
Net Charge0
Average Mass388.598
Monoisotopic Mass388.15307
SMILESO=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1
InChIInChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)
InChIKeyZYRLHJIMTROTBO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6,8-bis(benzylsulfanyl)octanoic acid (CHEBI:233958) is a benzenes (CHEBI:22712)
6,8-bis(benzylsulfanyl)octanoic acid (CHEBI:233958) is a monocarboxylic acid (CHEBI:25384)
6,8-bis(benzylsulfanyl)octanoic acid (CHEBI:233958) is a organic sulfide (CHEBI:16385)
Incoming Relation(s)
(6R)-6,8-bis(benzylsulfanyl)octanoic acid (CHEBI:233959) is a 6,8-bis(benzylsulfanyl)octanoic acid (CHEBI:233958)
(6S)-6,8-bis(benzylsulfanyl)octanoic acid (CHEBI:233960) is a 6,8-bis(benzylsulfanyl)octanoic acid (CHEBI:233958)
IUPAC Name 
6,8-bis(benzylsulfanyl)octanoic acid
Synonyms  Source
6,8-bis(benzylthio)octanoic acidIUPAC
6,8-bis[(phenylmethyl)thio]octanoic acidChEBI
6,8-bis-benzylthio-octanoic acidChEBI