Free Chemical Databases
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[Synonyms]
Kathon 930
Caswell No. 314B
Anti-Foulant C-9211M
Sea Nine - 211
C11H17Cl2NOS
EINECS 264-843-8
EPA Pesticide Chemical Code 128101
4,5-Dichloro-2-octyl-2H-isothiazol-3-one
Dichloro-2-n-octyl-3(2H)-isothiazolone
LS-86323
[Structure]
[ Properties Computed from Structure]
Molecular Weight 282.22978 [g/mol] Molecular Formula C11H17Cl2NOS XLogP 4.9 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 7 Exact Mass 281.04079 MonoIsotopic Mass 281.04079 Topological Polar Surface Area 20.3 Heavy Atom Count 16 Formal Charge 0 Complexity 281 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one
Canonical SMILES: CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl
InChI: InChI=1/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,
1H3
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