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CHEBI:34608 - captan

ChEBI IDCHEBI:34608
ChEBI Namecaptan
Stars
DefinitionA dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops.
Last Modified29 July 2015
DownloadsMolfile
FormulaC9H8Cl3NO2S
Net Charge0
Average Mass300.594
Monoisotopic Mass298.93413
SMILESO=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
InChIKeyLDVVMCZRFWMZSG-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)
captan (CHEBI:34608) has role antifungal agrochemical (CHEBI:86328)
captan (CHEBI:34608) is a isoindoles (CHEBI:24897)
captan (CHEBI:34608) is a organochlorine compound (CHEBI:36683)
captan (CHEBI:34608) is a organosulfur compound (CHEBI:33261)
captan (CHEBI:34608) is a phthalimide fungicide (CHEBI:87198)
IUPAC Name 
2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Synonyms  Source
captaneChemIDplus
N-(trichloromethylmercapto)-Δ4-tetrahydrophthalimideChemIDplus
3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dioneChemIDplus
1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimideChemIDplus
N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximideChemIDplus
N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximideChemIDplus
Brand Names  Source
HexacapChemIDplus
MalipurChemIDplus
CaptafChemIDplus
CaptexChemIDplus
BangtonChemIDplus
CaptabChemIDplus
Manual XrefsDatabases
C14438KEGG COMPOUND
CaptanWikipedia
captanAlan Wood's Pesticides
US2553771Patent
US2653155Patent
US2713058Patent
114PPDB
Registry NumbersSources
CAS:133-06-2KEGG COMPOUND
CAS:133-06-2ChemIDplus
CAS:133-06-2NIST Chemistry WebBook
Citations