kathon 930

Synonyms: "4,5-dichloro-2-octylisothiazol-3(2H)-one", "dcoit", "4,5-dichloro-2-octyl-isothiazolone", "4,5-dichloro-2-n-octyl-4-isothiazolin-3-one", "4,5-dichloro-2-n-octyl-3(2H)-isothiazolone", "caswell No. 314B", "4,5-dichloro-2-n-octyl-3-isothiazolone", "4,5-Dichloro-2-octyl-2H-isothiazol-3-one", "EINECS 264-843-8", "kathon 930".

Source: 4,5-dichloro-2-n-octyl-3-isothiazolone is used as a broad spectrum biocide in antifouling paints, and considered an environmental pollutant.

Identifiers:

IUPAC Name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one
CAS Number: 64359-81-5
PubChem ID: 91688
InChiKey: PORQOHRXAJJKGK-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl

Structural Properties:

Molecular Formula: C11H17Cl2NOS
Molecular Weight: 282.223

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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Evidence Supporting This Chemical as an Endocrine Disruptor
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Bellas J. 2006. Comparative toxicity of alternative antifouling biocides on embryos and larvae of marine invertebrates. Sci Total Environ 367(2-3):573-585. DOI: 10.1016/j.scitotenv.2006.01.028. URL: http://www.sciencedirect.com/science/article/pii/S0048969706001136.

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