CHEBI:18022 - thiocyanate

ChEBI IDCHEBI:18022
ChEBI Namethiocyanate
Stars
DefinitionA pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.
Secondary ChEBI IDsCHEBI:15234, CHEBI:24926, CHEBI:26954, CHEBI:45576
Last Modified5 September 2024
DownloadsMolfile
FormulaCNS
Net Charge-1
Average Mass58.085
Monoisotopic Mass57.97569
SMILESN#C[S-]
InChIInChI=1S/CHNS/c2-1-3/h3H/p-1
InChIKeyZMZDMBWJUHKJPS-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
thiocyanate (CHEBI:18022) has role human metabolite (CHEBI:77746)
thiocyanate (CHEBI:18022) is a pseudohalide anion (CHEBI:36828)
thiocyanate (CHEBI:18022) is a sulfur molecular entity (CHEBI:26835)
thiocyanate (CHEBI:18022) is conjugate base of isothiocyanic acid (CHEBI:24928)
thiocyanate (CHEBI:18022) is conjugate base of thiocyanic acid (CHEBI:29200)
Incoming Relation(s)
ammonium thiocyanate (CHEBI:231858) has part thiocyanate (CHEBI:18022)
potassium thiocyanate (CHEBI:30951) has part thiocyanate (CHEBI:18022)
sodium thiocyanate (CHEBI:30952) has part thiocyanate (CHEBI:18022)
isothiocyanic acid (CHEBI:24928) is conjugate acid of thiocyanate (CHEBI:18022)
thiocyanic acid (CHEBI:29200) is conjugate acid of thiocyanate (CHEBI:18022)
IUPAC Names 
nitridothiocarbonate(1−)
nitridothiocarbonate(IV)
nitridosulfidocarbonate(1−)
Synonyms  Source
SCNIUPAC
thiocyanateIUPAC
THIOCYANATE IONPDBeChem
NCS-NIST Chemistry WebBook
N≡C‒SChEBI
[S‒C≡N]ChEBI
UniProt Name  Source
thiocyanateUniProt
Manual XrefsDatabases
c0560UM-BBD
SCNPDBeChem
Registry NumbersSources
Gmelin:1089Gmelin
Beilstein:1901207Beilstein
CAS:302-04-5ChemIDplus
CAS:302-04-5NIST Chemistry WebBook
CAS:302-04-5KEGG COMPOUND