octhilinone

CHEBI:81936 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of 1,2-thiazole that is 1,2-thiazol-3-one substituted on the nitrogen (position 2) by an octyl group. A fungicide and antibacterial agent, it is used for treatment of canker and other fungal and bacterial diseases in fruit trees. It is no longer approved for use within the European Union. — 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.

CHEBI:48902 CHEBI:48902

Chemical structure

Computed structure properties
Molecular formula	C11H19NOS
Charge	0
Average mass	213.346 Da
Monoisotopic mass	213.11874 Da
Source	ChEBI
InChIKey	JPMIIZHYYWMHDT-UHFFFAOYSA-N

SMILES

CCCCCCCCn1sccc1=O

InChI

InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3

Also called

2-octyl-1,2-thiazol-3(2H)-one (EXACT_SYNONYM)— chebi
2-Octyl-3(2H)-isothiazolone (EXACT_SYNONYM)— chebi
2-Octyl-3-isothiazolinone (EXACT_SYNONYM)— chebi
2-Octyl-3-isothiazolone (EXACT_SYNONYM)— chebi
2-Octyl-3-isothioazolone (EXACT_SYNONYM)— chebi
2-Octyl-4-isothiazolin-3-one (EXACT_SYNONYM)— chebi
2-n-Octyl-4-isothiazolin-3-one (EXACT_SYNONYM)— chebi
2-octyl-2H-isothiazol-3-one (EXACT_SYNONYM)— chebi
Octyl-3(2H)-isothiazolone (EXACT_SYNONYM)— chebi
Octyl-4-isothiazol-3-one (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:26530-20-1
kegg.compound:C18752
pesticides:octhilinone
ppdb:489
reaxys:1211137

Activity roles

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

CHEBI:33282 CHEBI:33282
CHEBI:86328 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:81936`	octhilinone	`antibioticmech:chebi-b15099cf7b`	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.