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.
In the Vinony graph
Vinony's link graph records 14 inbound references to isothiazolinone, and connects out to methylchloroisothiazolinone, biofouling and fungi.
It sits within the topics Chembox having GHS data, Chembox image size set and Chemical articles with multiple compound IDs.
Vinony links it to 15 Wikipedia language editions.
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.