1,4,7-trithionane (CHEBI:37418)

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ChEBI Name	1,4,7-trithionane

ChEBI ID	CHEBI:37418

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C6H12S3

Net Charge

Average Mass

180.340

Monoisotopic Mass

180.01011

InChI

InChI=1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2

InChIKey

PQNPKQVPJAHPSB-UHFFFAOYSA-N

SMILES

C1CSCCSCCS1

Roles Classification
Chemical Role(s):	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	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

Last Modified

23 March 2021