5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one

• CAT Number: R007405
• CAS Number: 1189719-53-6
• Molecular Formula: C11H18ClNOS
• Molecular Weight: 264.885
• Purity: ≥95%
• Storage: Store at -20°C
• IUPAC Name: 5-chloro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctyl)-1,2-thiazol-3-one
• InChI: InChI=1S/C11H18ClNOS/c1-2-3-4-5-6-7-8-13-11(14)9-10(12)15-13/h9H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
• InChIKey: PTMXFIUOGSODQW-OISRNESJSA-N
• SMILES: CCCCCCCCN1C(=O)C=C(S1)Cl

5-Chloro-2-(n-octyl-d17)-4-isothiazolin-3-one is a deuterated derivative of 5-chloro-2-octyl-4-isothiazolin-3-one, a biocidal compound commonly used in industrial applications for controlling microbial growth. In this version, the octyl chain is fully deuterated, with 17 hydrogen atoms replaced by deuterium. This isotopic labeling enhances the compound’s utility in environmental fate studies, mass spectrometry, and NMR spectroscopy by allowing for precise tracking and analysis. Despite the deuteration, the compound retains its biocidal properties, making it useful for both research and practical applications.