4-Chloro-2-t-octyl-3-isothiazolone

Base Information

• Chemical Name: 4-Chloro-2-t-octyl-3-isothiazolone
• CAS No.: 26530-21-2
• Molecular Formula: C11H18ClNOS
• DSSTox Substance ID: DTXSID001196084

Synonyms:4-chloro-2-t-octyl-3-isothiazolone;SCHEMBL9616962;CNJYTSGDZSDJIO-UHFFFAOYSA-N;DTXSID001196084;26530-21-2;4-Chloro-2-(1,1,3,3-tetramethylbutyl)-3(2H)-isothiazolone

Chemical Property of 4-Chloro-2-t-octyl-3-isothiazolone

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 247.0797631
• Heavy Atom Count: 15
• Complexity: 304

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)N1C(=O)C(=CS1)Cl

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