5-(2-Pyridinyl)-1,3-dithiane-2-thione (CHEBI:189306)

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CHEBI:189306 - 5-(2-Pyridinyl)-1,3-dithiane-2-thione

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ChEBI ID	CHEBI:189306
ChEBI Name	5-(2-Pyridinyl)-1,3-dithiane-2-thione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H9NS3
Net Charge	0
Average Mass	227.379
Monoisotopic Mass	226.98971
SMILES	S=C1SCC(c2ccccn2)CS1
InChI	InChI=1S/C9H9NS3/c11-9-12-5-7(6-13-9)8-3-1-2-4-10-8/h1-4,7H,5-6H2
InChIKey	MPHSVFJZICYCRH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)	leaf (BTO:0000713)	MetaboLights (MTBLS3997)

ChEBI Ontology

Outgoing Relation(s)
	5-(2-Pyridinyl)-1,3-dithiane-2-thione (CHEBI:189306) is a dithianes (CHEBI:51652)

IUPAC Name
5-pyridin-2-yl-1,3-dithiane-2-thione

Manual Xrefs	Databases
21107360	ChemSpider