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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2,3-benzothiadiazole-7-carboxylic acid
ChEBI ID CHEBI:141405
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H4N2O2S
Net Charge 0
Average Mass 180.185
Monoisotopic Mass 179.99935
InChI InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)
InChIKey COAIOOWBEPAOFY-UHFFFAOYSA-N
SMILES S1N=NC=2C=CC=C(C12)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,2,3-Benzothiadiazol-7-carbonsäure ChEBI
1,2,3-benzothiadiazole-7-carboxylic acid ChEBI
7-carboxybenzothiadiazole ChEBI
acibenzolar acid ChEBI
Acide 1,2,3-benzothiadiazole-7-carboxylique ChEBI
benzo-1,2,3-thiadiazole-7-carboxylic acid ChEBI
benzo[d][1,2,3]thiadiazole-7-carboxylic acid IUPAC
CGA 210 007 ChEBI
Registry Numbers Types Sources
35272-27-6 CAS Registry Number ChemIDplus
975928 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11455656 PubMed citation Europe PMC
21726155 PubMed citation Europe PMC
Last Modified
10 May 2019