CHEBI:29200 - thiocyanic acid

ChEBI IDCHEBI:29200
ChEBI Namethiocyanic acid
Stars
DefinitionA hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom.
Secondary ChEBI IDsCHEBI:9550, CHEBI:26956
Last Modified13 March 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaCHNS
Net Charge0
Average Mass59.093
Monoisotopic Mass58.98297
SMILESN#CS
InChIInChI=1S/CHNS/c2-1-3/h3H
InChIKeyZMZDMBWJUHKJPS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
thiocyanic acid (CHEBI:29200) has role Escherichia coli metabolite (CHEBI:76971)
thiocyanic acid (CHEBI:29200) is a hydracid (CHEBI:33405)
thiocyanic acid (CHEBI:29200) is a one-carbon compound (CHEBI:64708)
thiocyanic acid (CHEBI:29200) is a organosulfur compound (CHEBI:33261)
thiocyanic acid (CHEBI:29200) is conjugate acid of thiocyanate (CHEBI:18022)
thiocyanic acid (CHEBI:29200) is tautomer of isothiocyanic acid (CHEBI:24928)
Incoming Relation(s)
nitridosulfidocarbon(•) (CHEBI:29425) has functional parent thiocyanic acid (CHEBI:29200)
thiocyanates (CHEBI:26955) has functional parent thiocyanic acid (CHEBI:29200)
thiocyanate (CHEBI:18022) is conjugate base of thiocyanic acid (CHEBI:29200)
isothiocyanic acid (CHEBI:24928) is tautomer of thiocyanic acid (CHEBI:29200)
IUPAC Names 
nitridosulfanidocarbon
thiocyanic acid
Synonyms  Source
Thiocyanic acidKEGG COMPOUND
HSCNIUPAC
[C(N)(SH)]IUPAC
[CN(SH)]IUPAC
N≡C‒SHChEBI
HS‒C≡NChEBI
Manual XrefsDatabases
C01755KEGG COMPOUND
SCNPDBeChem
Registry NumbersSources
Gmelin:25178Gmelin
CAS:463-56-9ChemIDplus
CAS:463-56-9KEGG COMPOUND