EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231577 - 1-hexanesulfonic acid

ChEBI IDCHEBI:231577
ChEBI Name1-hexanesulfonic acid
Stars
DefinitionAn alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is hexyl.
Last Modified13 June 2024
Submittermwilliams
DownloadsMolfile
FormulaC6H14O3S
Net Charge0
Average Mass166.242
Monoisotopic Mass166.06637
SMILESCCCCCCS(=O)(=O)O
InChIInChI=1S/C6H14O3S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H,7,8,9)
InChIKeyFYAQQULBLMNGAH-UHFFFAOYSA-N
Roles Classification
Application:
chromatographic reagent  A reagent used to improve selectivity in chromatographic analyses or separations, e.g. by formation of a derivative or by modification of the mobile phase.
ChEBI Ontology
Outgoing Relation(s)
1-hexanesulfonic acid (CHEBI:231577) has role chromatographic reagent (CHEBI:59745)
1-hexanesulfonic acid (CHEBI:231577) is a alkanesulfonic acid (CHEBI:47901)
IUPAC Name 
hexane-1-sulfonic acid
Synonym  Source
hexanesulfonic acidChEBI
Manual XrefsDatabases
HMDB0253146HMDB
Registry NumbersSources
CAS:13595-73-8ChEBI
Citations