methylisothiazolinone
CHEBI:53620
·resolve ·ANTIFUNGAL
·EXACT
SEEDED
A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product KathonTM. — 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 | C4H5NOS |
|---|
| Charge | 0 |
|---|
| Average mass | 115.157 Da |
|---|
| Monoisotopic mass | 115.00918 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | BEGLCMHJXHIJLR-UHFFFAOYSA-N |
|---|
SMILES
Cn1sccc1=O
InChI
InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
Also called
- 2-methyl-1,2-thiazol-3(2H)-one (EXACT_SYNONYM)— chebi
- 2-Methyl-3(2H)-isothiazolone (EXACT_SYNONYM)— chebi
- 2-Methyl-4-isothiazolin-3-one (EXACT_SYNONYM)— chebi
- MI (EXACT_SYNONYM)— chebi
- MIT (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:2682-20-4
- patent:EP2289335
- reaxys:606203
- wikipedia.en:Methylisothiazolinone
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:53620 |
methylisothiazolinone |
antibioticmech:chebi-ba9c8ac6ab |
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.