acibenzolar-S-methyl
CHEBI:73178
·resolve ·ANTIFUNGAL
·EXACT
SEEDED
A 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. — 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.
Chemical structure
Computed structure properties
| Molecular formula | C8H6N2OS2 |
|---|
| Charge | 0 |
|---|
| Average mass | 210.283 Da |
|---|
| Monoisotopic mass | 209.99215 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | UELITFHSCLAHKR-UHFFFAOYSA-N |
|---|
SMILES
CSC(=O)c1cccc2nnsc12
InChI
InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
Also called
- Actigard (BRAND_NAME)— chebi
- S-methyl 1,2,3-benzothiadiazole-7-carbothioate (EXACT_SYNONYM)— chebi
- 1,2,3-benzothiadiazole-7-carboxlic acid thiomethyl ester (EXACT_SYNONYM)— chebi
- 7-(methylthiocarbonyl)-benzo-1,2,3-thiadiazole (EXACT_SYNONYM)— chebi
- BTH (EXACT_SYNONYM)— chebi
- S-methyl benzo[1,2,3]thiadiazole-7-carbothioate (EXACT_SYNONYM)— chebi
- benzo-(1,2,3)-thiadiazole-7-carbothioic acid S-methyl ester (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:135158-54-2
- pesticides:acibenzolar-s-methyl
- ppdb:13
- reaxys:8055445
- wikipedia.en:Acibenzolar-S-methyl
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:73178 |
acibenzolar-S-methyl |
antibioticmech:chebi-0adbed5ed7 |
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.