| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM64359815-1 |
| Product Name | Kathon 930 |
| CAS | 64359-81-5 |
| Structure |  |
| Synonyms | 4,5-Dichloro-2-octylisothiazol-3(2H)-one |
| IUPAC Name | 4,5-Dichloro-2-octyl-1,2-thiazol-3-one |
| Molecular Weight | 282.2 |
| Molecular Formula | C11H17Cl2NOS |
| Canonical SMILES | CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl |
| InChI | InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3 |
| InChIKey | PORQOHRXAJJKGK-UHFFFAOYSA-N |
| Boiling Point | 322.6±52.0 °C |
| Melting Point | 43-45 °C |
| Purity | 98%+ |
| Density | 1.25±0.1 g/cm3 |
| Complexity | 281 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.0407907 |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 281.0407907 |
| Physical State | White powder |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 45.6 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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