benzo[d]isothiazol-3-one

CHEBI:167099 ·resolve ·BIOCIDE ·EXACT SEEDED

An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. — 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:27171 CHEBI:27171
CHEBI:38101 CHEBI:38101

Chemical structure

Computed structure properties
Molecular formula	C7H5NOS
Charge	0
Average mass	151.19 Da
Monoisotopic mass	151.00918 Da
Source	ChEBI
InChIKey	DMSMPAJRVJJAGA-UHFFFAOYSA-N

SMILES

O=c1nsc2ccccc12

InChI

InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

Also called

1,2-benzisothiazol-3(2H)-one (EXACT_SYNONYM)— chebi
1,2-Benzisothiazol-3(2H)-one (EXACT_SYNONYM)— chebi
1,2-Benzisothiazolin-3-one (EXACT_SYNONYM)— chebi
1,2-Benzisothiazoline-3-one (EXACT_SYNONYM)— chebi
2,3-dihydro-3-oxo-1,2-benzisothiazole (EXACT_SYNONYM)— chebi
BIT (EXACT_SYNONYM)— chebi
IPX (EXACT_SYNONYM)— chebi
benzisothiazolone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:2634-33-5
hmdb:HMDB0034413
ppdb:1361
reaxys:119510
wikipedia.en:Benzisothiazolinone

Activity roles

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

CHEBI:48219 CHEBI:48219

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:167099`	benzo[d]isothiazol-3-one	`antibioticmech:chebi-830d53a436`	2026-08-30

Molecular targets

The molecular entity or process this compound acts on. Each target carries evidence — this is a mechanistic claim, not a classification.

Replicase polyprotein 1ab VIRAL_PROTEIN MEASURED_TARGET_ASSOCIATION

BindingDB quantitative measurement in the named target organism; source assay descriptions and identifiers are retained per measurement. Evidence status: PRIMARY_EVIDENCE. Source: BINDINGDB 2026-09 (retrieved 2026-08-31).

Severe acute respiratory syndrome coronavirus 2 NCBITaxon:2697049

Quantitative measurements
Type	Reported value	Assay	BindingDB IDs	Reference
IC50	660 nM	Various Assay This is a review article. Please point to the original journal.	`RSID 1073670` `assay 10079_1` `monomer 46658`	`PMID:34798775`

Organism-specific examples
Protein	Gene	Organism	Entry
Replicase polyprotein 1ab `UniProtKB:P0DTD1`	—	Severe acute respiratory syndrome coronavirus 2	REVIEWED

PMID:34798775 (BindingDB literature-curated quantitative target measurement; source value, assay text, reaction-set ID, and target organism retained.)

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
RESEEDED_FROM_SOURCES 2026-08-31 · 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.