Structure via PubChem · Public domain (PubChem)
isothiazolinone
Sign in to saveIsothiazolinone (; sometimes isothiazolone) is an organic compound with the formula (CH)2SN(H)CO. A white solid, it is structurally related to isothiazole. Isothiazolone itself is of limited interest, but several of its derivatives are widely used preservatives and antimicrobials.
Chemical data
- Formula
- C3H3NOS
- Molecular weight
- 101.13 g/mol
- IUPAC name
- 1,2-thiazol-3-one
- SMILES
- C1=CSNC1=O
- InChIKey
- MGIYRDNGCNKGJU-UHFFFAOYSA-N
- XLogP
- -0.1
- Polar surface area
- 54.4 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 100.994
Show 3 more facts
- chemical formula
- C₃H₃NOS
- canonical SMILES
- C1=CSNC1=O
- Commons category
- Isothiazolinone
Sources (2)
via Wikidata · CC0
~7 min read
Encyclopedic overview
9 sectionsContents
- Synthesis
- Mechanism of action
- Applications
- Safety and environmental aspects
- Environmental
- Dermatitis
- Allergic contact dermatitis
- References
- External links
Isothiazolinone (; sometimes isothiazolone) is an organic compound with the formula (CH)2SN(H)CO. A white solid, it is structurally related to isothiazole. Isothiazolone itself is of limited interest, but several of its derivatives are widely used preservatives and antimicrobials.
==Synthesis== Compared to many other simple heterocycles, the discovery of isothiazolinone is fairly recent, with reports first appearing in the 1960s.
Excerpted from Wikipedia’s “isothiazolinone” article, available under the CC BY-SA 4.0 licence.