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CHEBI:73178 - acibenzolar-S-methyl

Default Structure
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:
plant activator  Any compound that protects plants by activating their defence mechanisms.
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.
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
1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl esterChEBI
7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazoleChEBI
benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl esterChEBI
BTHChEBI
S-methyl benzo[1,2,3]thiadiazole-7-carbothioateChEBI
Brand Name  Source
ActigardChemIDplus
Manual XrefsDatabases
13PPDB
acibenzolar-s-methylAlan Wood's Pesticides
Acibenzolar-S-methylWikipedia
Registry NumbersSources
Reaxys:8055445Reaxys
CAS:135158-54-2ChemIDplus
Citations