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CHEBI:81938 - captafol

Default Structure
ChEBI IDCHEBI:81938
ChEBI Namecaptafol
Stars
DefinitionA dicarboximide that captan in which the trichloromethyl group is replaced by a 1,1,2,2-tetrachloroethyl group. A broad-spectrum fungicide used to control diseases in fruit and potatoes, it is no longer approved for use in the European Community.
Last Modified29 July 2015
DownloadsMolfile
FormulaC10H9Cl4NO2S
Net Charge0
Average Mass349.066
Monoisotopic Mass346.91081
SMILESO=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
InChIKeyJHRWWRDRBPCWTF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
captafol (CHEBI:81938) has role antifungal agrochemical (CHEBI:86328)
captafol (CHEBI:81938) is a isoindoles (CHEBI:24897)
captafol (CHEBI:81938) is a organochlorine compound (CHEBI:36683)
captafol (CHEBI:81938) is a organosulfur compound (CHEBI:33261)
captafol (CHEBI:81938) is a phthalimide fungicide (CHEBI:87198)
IUPAC Name 
2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Synonyms  Source
1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimideChemIDplus
3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dioneChemIDplus
3a,4,7,7a-tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimideChemIDplus
N-1,1,2,2-tetrachloroethylmercapto-4-cyclohexene-1,2-carboximideChemIDplus
N-[(1,1,2,2-tetrachloroethyl)sulfenyl]-4-cyclohexene-1,2-dicarboximideChEBI
N-(1,1,2,2-tetrachloroethylthio)-Δ4-tetrahydrophthalimideNIST Chemistry WebBook
Brand Names  Source
CaptasporChemIDplus
DifolatanChemIDplus
DifosanChemIDplus
FolcidChemIDplus
HaipenChemIDplus
KenofolChemIDplus
Manual XrefsDatabases
113PPDB
BE633205Patent
C18754KEGG COMPOUND
captafolAlan Wood's Pesticides
CaptafolWikipedia
HMDB0031669HMDB
Registry NumbersSources
Reaxys:1543712Reaxys
Reaxys:234872Reaxys
CAS:2425-06-1NIST Chemistry WebBook
CAS:2425-06-1KEGG COMPOUND
CAS:2425-06-1ChemIDplus
Citations