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CHEBI:8473 - propane-1-thiol

Default Structure
ChEBI IDCHEBI:8473
ChEBI Namepropane-1-thiol
Stars
DefinitionAn alkanethiol that is propane substituted by a thiol group at position 1.
Last Modified11 May 2023
DownloadsMolfile
FormulaC3H8S
Net Charge0
Average Mass76.164
Monoisotopic Mass76.03467
SMILESCCCS
InChIInChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKeySUVIGLJNEAMWEG-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Allium cepa (ncbitaxon:4679) - PubMed (16748484)
Allium sativum (ncbitaxon:4682) - DOI (10.3923/pjbs.2013.1138.1144)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
propane-1-thiol (CHEBI:8473) has role plant metabolite (CHEBI:76924)
propane-1-thiol (CHEBI:8473) is a alkanethiol (CHEBI:47908)
Incoming Relation(s)
S-propyl hexanethioate (CHEBI:180249) has functional parent propane-1-thiol (CHEBI:8473)
IUPAC Name 
propane-1-thiol
Synonyms  Source
1-MercaptopropaneChemIDplus
1-Propyl mercaptanChemIDplus
1-PropylmercaptanChemIDplus
n-Propyl mercaptanChemIDplus
n-PropylmercaptanChemIDplus
n-PropylthiolChemIDplus
Manual XrefsDatabases
C00001267KNApSAcK
C08390KEGG COMPOUND
HMDB0034238HMDB
PropanethiolWikipedia
XL3PDBeChem
Registry NumbersSources
Reaxys:1696860Reaxys
CAS:107-03-9NIST Chemistry WebBook
CAS:107-03-9KEGG COMPOUND
CAS:107-03-9ChemIDplus
Citations