Isothiazolinone

Names

IUPAC name

1,2-Thiazol-3-one

Other names

Isothiazolin-3-one; 3(2H)-Isothiazolone

Identifiers

CAS Number

1003-07-2^Y

3D model (JSmol)

ChemSpider

87509^N

PubChem CID

96917

UNII

E57JT172V7^N

InChI

InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)^N

Key: MGIYRDNGCNKGJU-UHFFFAOYSA-N^N
InChI=1/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)

Key: MGIYRDNGCNKGJU-UHFFFAOYAO

SMILES

O=C1NSC=C1
c1csnc1O

Properties

Chemical formula

C₃H₃NOS

Molar mass

101.127

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

(what is ^YN ?)

Infobox references

Isothiazolinone is a heterocyclic chemical compound. Derivatives of isothiazolinone are used as biocides, including:

Isothiazolinones are antimicrobials used to control bacteria, fungi, and algae in cooling water systems, fuel storage tanks, pulp and paper mill water systems, oil extraction systems, wood preservation and antifouling agents. They are frequently used in personal care products such as shampoos and other hair care products, as well as certain paint formulations. Often, combinations of MIT and CMIT (known as Kathon CG) or MIT and BIT are used.

Together with their wanted function, controlling or killing microorganisms, isothiazolinones also have undesirable effects: They have a high aquatic toxicity and some derivatives can cause hypersensitivity by direct contact or via the air.

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