captafol (CHEBI:81938)

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ChEBI Name	captafol

ChEBI ID	CHEBI:81938

Definition	A 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.

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

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Formula

C10H9Cl4NO2S

Net Charge

Average Mass

349.06100

Monoisotopic Mass

346.91081

InChI

InChI=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

InChIKey

JHRWWRDRBPCWTF-UHFFFAOYSA-N

SMILES

ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O

Roles Classification
Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via dicarboximide fungicide ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via dicarboximide antifungal agent )

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via dicarboximide fungicide )

ChEBI Ontology
Outgoing	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	Sources
(tetrachloroethylthio)tetrahydrophthalimide	NIST Chemistry WebBook
1,2,3,6-tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide	ChemIDplus
3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione	ChemIDplus
3a,4,7,7a-tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide	ChemIDplus
N-(1,1,2,2-tetrachloroethylthio)-Δ⁴-tetrahydrophthalimide	NIST Chemistry WebBook
N-1,1,2,2-tetrachloroethylmercapto-4-cyclohexene-1,2-carboximide	ChemIDplus
N-[(1,1,2,2-tetrachloroethyl)sulfenyl]-4-cyclohexene-1,2-dicarboximide	ChEBI

Last Modified

29 July 2015

General Comment
2015-04-24	Captafol ia a member of the class of organosulfur pesticides.