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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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

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.