1,2,3-benzothiadiazole-7-carboxylic acid

CHEBI:141405 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:33859
Label unavailable CHEBI:48864

Chemical structure

Computed structure properties
Molecular formula	C7H4N2O2S
Charge	0
Average mass	180.188 Da
Monoisotopic mass	179.99935 Da
Source	ChEBI
InChIKey	COAIOOWBEPAOFY-UHFFFAOYSA-N

SMILES

O=C(O)c1cccc2nnsc12

InChI

InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)

Also called

1,2,3-Benzothiadiazol-7-carbonsäure (EXACT_SYNONYM)— chebi
7-carboxybenzothiadiazole (EXACT_SYNONYM)— chebi
Acide 1,2,3-benzothiadiazole-7-carboxylique (EXACT_SYNONYM)— chebi
CGA 210 007 (EXACT_SYNONYM)— chebi
acibenzolar acid (EXACT_SYNONYM)— chebi
benzo-1,2,3-thiadiazole-7-carboxylic acid (EXACT_SYNONYM)— chebi
benzo[d][1,2,3]thiadiazole-7-carboxylic acid (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:35272-27-6
reaxys:975928

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

fungicide CHEBI:24127
antifungal agrochemical CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:141405`	1,2,3-benzothiadiazole-7-carboxylic acid	`antibioticmech:chebi-0a29c80555`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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