Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:18022 - thiocyanate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
thiocyanate
ChEBI ID
CHEBI:18022
Definition
A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:45576, CHEBI:15234, CHEBI:24926, CHEBI:26954
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
Molfile
Formula
CNS
Net Charge
-1
Average Mass
58.08344
Monoisotopic Mass
57.97569
InChI
InChI=1S/CHNS/c2-1-3/h3H/p-1
InChIKey
ZMZDMBWJUHKJPS-UHFFFAOYSA-M
SMILES
[S-]C#N
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
nitridosulfidocarbonate(1−)
nitridothiocarbonate(1−)
nitridothiocarbonate(
IV
)
Synonyms
Sources
[S‒C≡N]
−
ChEBI
N≡C‒S
−
ChEBI
NCS-
NIST Chemistry WebBook
Rhodanid
ChEBI
rhodanide
ChEBI
SCN
−
IUPAC
thiocyanate
IUPAC
thiocyanate
UniProt
THIOCYANATE ION
PDBeChem
thiocyanate ion (1−)
ChemIDplus
Thiozyanat
ChEBI
Manual Xrefs
Databases
c0560
UM-BBD
SCN
PDBeChem
View more database links
Registry Numbers
Types
Sources
1089
Gmelin Registry Number
Gmelin
1901207
Beilstein Registry Number
Beilstein
302-04-5
CAS Registry Number
NIST Chemistry WebBook
302-04-5
CAS Registry Number
ChemIDplus
Last Modified
05 September 2024