dithianon (CHEBI:81842)

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ChEBI Name	dithianon

ChEBI ID	CHEBI:81842

Definition	A naphthodithiin that is 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin which is substituted by nitrile groups at positions 2 and 3. It is a broad spectrum fungicide used to control scab, downy mildew, rust, and leaf spot in the commercial growing of grapes and other fruit, citrus, coffee, and vegetables.

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

Supplier Information

Download	Molfile XML SDF

Formula

C14H4N2O2S2

Net Charge

Average Mass

296.32400

Monoisotopic Mass

295.97142

InChI

InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H

InChIKey

PYZSVQVRHDXQSL-UHFFFAOYSA-N

SMILES

O=c1c2ccccc2c(=O)c2sc(C#N)c(sc12)C#N

Roles Classification
Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

ChEBI Ontology
Outgoing	dithianon (CHEBI:81842) has role antifungal agrochemical (CHEBI:86328) dithianon (CHEBI:81842) is a p-quinones (CHEBI:25830) dithianon (CHEBI:81842) is a dinitrile (CHEBI:51308) dithianon (CHEBI:81842) is a naphthodithiin (CHEBI:82826)

IUPAC Name

5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin-2,3-dicarbonitrile

Synonyms	Sources
1,4-dithiaanthraquinone-2,3-dinitrile	ChemIDplus
2,3-Dicarbonitrilo-1,4-diathiaanthrachinon	ChemIDplus
2,3-dicyano-1,4-dithia-anthraquinone	ChemIDplus
2,3-dinitrilo-1,4-dithia-9,10-anthraquinone	ChemIDplus
2,3-dinitrilo-1,4-dithia-anthraquinone	ChemIDplus
5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile	NIST Chemistry WebBook
dithianone	NIST Chemistry WebBook

Brand Name	Source
Delan	NIST Chemistry WebBook

Last Modified

05 June 2016