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CHEBI:35014 - thiophanate-methyl

ChEBI IDCHEBI:35014
ChEBI Namethiophanate-methyl
Stars
DefinitionA member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould.
Last Modified22 July 2015
DownloadsMolfile
FormulaC12H14N4O4S2
Net Charge0
Average Mass342.402
Monoisotopic Mass342.04565
SMILESCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
InChIInChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
InChIKeyQGHREAKMXXNCOA-UHFFFAOYSA-N
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.
fungicide  A substance used to destroy fungal pests.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
thiophanate-methyl (CHEBI:35014) has functional parent 1,2-phenylenediamine (CHEBI:34043)
thiophanate-methyl (CHEBI:35014) has role antifungal agrochemical (CHEBI:86328)
thiophanate-methyl (CHEBI:35014) is a benzimidazole precursor fungicide (CHEBI:87037)
thiophanate-methyl (CHEBI:35014) is a carbamate ester (CHEBI:23003)
thiophanate-methyl (CHEBI:35014) is a carbamate fungicide (CHEBI:87061)
thiophanate-methyl (CHEBI:35014) is a thioureas (CHEBI:51276)
IUPAC Name 
dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate
Synonyms  Source
1,2-Di-(3-methoxycarbonyl-2-thioureido)benzeneKEGG COMPOUND
MethylthiophanateChemIDplus
1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzeneChemIDplus
1,2-Bis(methoxycarbonylthioureido)benzeneChemIDplus
MethylthiofanateChemIDplus
o-Bis(3-methoxycarbonyl-2-thioureido)benzeneChemIDplus
Manual XrefsDatabases
C14432KEGG COMPOUND
thiophanate-methylAlan Wood's Pesticides
640PPDB
Registry NumbersSources
Reaxys:937942Reaxys
CAS:23564-05-8KEGG COMPOUND
CAS:23564-05-8ChemIDplus
Citations