CHEBI:81842 - dithianon

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dithianon
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 0
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
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.
View more via ChEBI Ontology
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)
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
Manual Xrefs Databases
258 PPDB
dithianon Alan Wood's Pesticides
HMDB0031780 HMDB
US2976296 Patent
View more database links
Registry Numbers Types Sources
1325563 Reaxys Registry Number Reaxys
3347-22-6 CAS Registry Number NIST Chemistry WebBook
3347-22-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10454242 PubMed citation Europe PMC
15092966 PubMed citation Europe PMC
15327854 PubMed citation Europe PMC
19130372 PubMed citation Europe PMC
23165602 PubMed citation Europe PMC
9065825 PubMed citation Europe PMC
Last Modified
05 June 2016