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CHEBI:81842 - dithianon

ChEBI IDCHEBI:81842
ChEBI Namedithianon
Stars
DefinitionA 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.
Last Modified5 June 2016
DownloadsMolfile
FormulaC14H4N2O2S2
Net Charge0
Average Mass296.332
Monoisotopic Mass295.97142
SMILESN#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N
InChIInChI=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
InChIKeyPYZSVQVRHDXQSL-UHFFFAOYSA-N
Roles Classification
Biological Role:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
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  Source
2,3-dinitrilo-1,4-dithia-anthraquinoneChemIDplus
1,4-dithiaanthraquinone-2,3-dinitrileChemIDplus
2,3-Dicarbonitrilo-1,4-diathiaanthrachinonChemIDplus
2,3-dicyano-1,4-dithia-anthraquinoneChemIDplus
2,3-dinitrilo-1,4-dithia-9,10-anthraquinoneChemIDplus
5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrileNIST Chemistry WebBook
Brand Name  Source
DelanNIST Chemistry WebBook
Manual XrefsDatabases
C18574KEGG COMPOUND
dithianonAlan Wood's Pesticides
US2976296Patent
HMDB0031780HMDB
258PPDB
Registry NumbersSources
Reaxys:1325563Reaxys
CAS:3347-22-6KEGG COMPOUND
CAS:3347-22-6ChemIDplus
CAS:3347-22-6NIST Chemistry WebBook
Citations