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

Default Structure
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:
fungicide  A substance used to destroy fungal pests.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Applications:
fungicide  A substance used to destroy fungal pests.
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)
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
1,2,3-Benzothiadiazol-7-carbonsäureChEBI
1,2,3-benzothiadiazole-7-carboxylic acidChEBI
7-carboxybenzothiadiazoleChEBI
acibenzolar acidChEBI
Acide 1,2,3-benzothiadiazole-7-carboxyliqueChEBI
benzo-1,2,3-thiadiazole-7-carboxylic acidChEBI
Registry NumbersSources
Reaxys:975928Reaxys
CAS:35272-27-6ChemIDplus
Citations