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CHEBI:73178 - acibenzolar-S-methyl

ChEBI IDCHEBI:73178
ChEBI Nameacibenzolar-S-methyl
Stars
ASCII Nameacibenzolar-S-methyl
DefinitionA benzothiadiazole that is the S-methyl thioester derivative of acibenzolar. A profungicide (by hydrolysis of the thioester group to give the corresponding carboxylic acid), it is used as a fungicide and plant activator on a variety of crops, including cotton, chili peppers, lettuce, onions, spinach, tobacco, and tomatoes.
Last Modified31 March 2017
SubmitterJohnny Lloyd
DownloadsMolfile
FormulaC8H6N2OS2
Net Charge0
Average Mass210.283
Monoisotopic Mass209.99215
SMILESCSC(=O)c1cccc2nnsc12
InChIInChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
InChIKeyUELITFHSCLAHKR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
profungicide  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active fungicide for which it is a profungicide.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Applications:
profungicide  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active fungicide for which it is a profungicide.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
plant activator  Any compound that protects plants by activating their defence mechanisms.
ChEBI Ontology
Outgoing Relation(s)
acibenzolar-S-methyl (CHEBI:73178) has functional parent acibenzolar (CHEBI:73185)
acibenzolar-S-methyl (CHEBI:73178) has role antifungal agrochemical (CHEBI:86328)
acibenzolar-S-methyl (CHEBI:73178) has role plant activator (CHEBI:73182)
acibenzolar-S-methyl (CHEBI:73178) has role profungicide (CHEBI:136645)
acibenzolar-S-methyl (CHEBI:73178) is a benzothiadiazole (CHEBI:48864)
acibenzolar-S-methyl (CHEBI:73178) is a thioester (CHEBI:51277)
IUPAC Name 
S-methyl 1,2,3-benzothiadiazole-7-carbothioate
Synonyms  Source
BTHChEBI
benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl esterChEBI
S-methyl benzo[1,2,3]thiadiazole-7-carbothioateChEBI
7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazoleChEBI
1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl esterChEBI
Brand Name  Source
ActigardChemIDplus
Manual XrefsDatabases
Acibenzolar-S-methylWikipedia
acibenzolar-s-methylAlan Wood's Pesticides
13PPDB
Registry NumbersSources
Reaxys:8055445Reaxys
CAS:135158-54-2ChemIDplus
Citations