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CHEBI:141405 - 1,2,3-benzothiadiazole-7-carboxylic acid

ChEBI IDCHEBI:141405
ChEBI Name1,2,3-benzothiadiazole-7-carboxylic acid
Stars
DefinitionA benzothiadiazole that is acibenzolar-S-methyl in which the thioester group has been hydrolysed to the corresponding carboxylic acid group. The active herbicide of the proherbicide acibenzolar-S-methyl.
Last Modified10 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC7H4N2O2S
Net Charge0
Average Mass180.188
Monoisotopic Mass179.99935
SMILESO=C(O)c1cccc2nnsc12
InChIInChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)
InChIKeyCOAIOOWBEPAOFY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
Applications:
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.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
1,2,3-benzothiadiazole-7-carboxylic acid (CHEBI:141405) has role antifungal agrochemical (CHEBI:86328)
1,2,3-benzothiadiazole-7-carboxylic acid (CHEBI:141405) has role fungicide (CHEBI:24127)
1,2,3-benzothiadiazole-7-carboxylic acid (CHEBI:141405) has role plant activator (CHEBI:73182)
1,2,3-benzothiadiazole-7-carboxylic acid (CHEBI:141405) is a aromatic carboxylic acid (CHEBI:33859)
1,2,3-benzothiadiazole-7-carboxylic acid (CHEBI:141405) is a benzothiadiazole (CHEBI:48864)
IUPAC Name 
1,2,3-benzothiadiazole-7-carboxylic acid
Synonyms  Source
benzo[d][1,2,3]thiadiazole-7-carboxylic acidIUPAC
1,2,3-benzothiadiazole-7-carboxylic acidChEBI
7-carboxybenzothiadiazoleChEBI
benzo-1,2,3-thiadiazole-7-carboxylic acidChEBI
CGA 210 007ChEBI
acibenzolar acidChEBI
Registry NumbersSources
Reaxys:975928Reaxys
CAS:35272-27-6ChemIDplus
Citations