CHEBI:8473 - propane-1-thiol

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ChEBI Name propane-1-thiol
ChEBI ID CHEBI:8473
Definition An alkanethiol that is propane substituted by a thiol group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C3H8S
Net Charge 0
Average Mass 76.16162
Monoisotopic Mass 76.03467
InChI InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey SUVIGLJNEAMWEG-UHFFFAOYSA-N
SMILES CCCS
Metabolite of Species Details
Allium cepa (NCBI:txid4679) See: PubMed
Allium sativum (NCBI:txid4682) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing propane-1-thiol (CHEBI:8473) has role plant metabolite (CHEBI:76924)
propane-1-thiol (CHEBI:8473) is a alkanethiol (CHEBI:47908)
Incoming S-propyl hexanethioate (CHEBI:180249) has functional parent propane-1-thiol (CHEBI:8473)
IUPAC Name
propane-1-thiol
Synonyms Sources
1-Mercaptopropane ChemIDplus
1-Propyl mercaptan ChemIDplus
1-Propylmercaptan ChemIDplus
n-Propyl mercaptan ChemIDplus
n-Propylmercaptan ChemIDplus
n-Propylthiol ChemIDplus
n-Thiopropyl alcohol ChemIDplus
Propane-1-thiol KEGG COMPOUND
Propanethiol KEGG COMPOUND
Propyl mercaptan KEGG COMPOUND
Propylthiol ChemIDplus
Thiopropyl alcohol ChemIDplus
Manual Xrefs Databases
C00001267 KNApSAcK
C08390 KEGG COMPOUND
HMDB0034238 HMDB
Propanethiol Wikipedia
XL3 PDBeChem
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Registry Numbers Types Sources
107-03-9 CAS Registry Number KEGG COMPOUND
107-03-9 CAS Registry Number NIST Chemistry WebBook
107-03-9 CAS Registry Number ChemIDplus
1696860 Reaxys Registry Number Reaxys
1696860 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
16748484 PubMed citation Europe PMC
Last Modified
11 May 2023