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CHEBI:37418 - 1,4,7-trithionane

ChEBI IDCHEBI:37418
ChEBI Name1,4,7-trithionane
Stars
DefinitionA crown thioether that is cyclononane in which the carbon atoms at positions 1, 4 and 7 are replaced by sulfur atoms. It is a tridentate thioether ligand that is used to synthesise complexes with a wide variety of transition metal ions.
Last Modified23 March 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H12S3
Net Charge0
Average Mass180.363
Monoisotopic Mass180.01011
SMILESC1CSCCSCCS1
InChIInChI=1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2
InChIKeyPQNPKQVPJAHPSB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
ChEBI Ontology
Outgoing Relation(s)
1,4,7-trithionane (CHEBI:37418) has role chelator (CHEBI:38161)
1,4,7-trithionane (CHEBI:37418) is a crown thioether (CHEBI:37437)
1,4,7-trithionane (CHEBI:37418) is a saturated organic heteromonocyclic parent (CHEBI:36389)
IUPAC Name 
1,4,7-trithionane
Synonyms  Source
[9]aneS3IUPAC
1,4,7-trithiacyclononaneNIST Chemistry WebBook
triethylene trisulfideChEBI
9-ane-S3ChEBI
Manual XrefsDatabases
1,4,7-TrithiacyclononaneWikipedia
Registry NumbersSources
Gmelin:49987Gmelin
Beilstein:1616445Beilstein
CAS:6573-11-1ChemIDplus
CAS:6573-11-1NIST Chemistry WebBook
Citations