| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM26172554-1 |
| Product Name | 5-Chloro-2-methyl-4-isothiazolin-3-one |
| CAS | 26172-55-4 |
| Structure |  |
| Synonyms | Methylchloroisothiazolinone |
| IUPAC Name | 5-Chloro-2-methyl-1,2-thiazol-3-one |
| Molecular Weight | 149.6 |
| Molecular Formula | C4H4ClNOS |
| Canonical SMILES | CN1C(=O)C=C(S1)Cl |
| InChI | InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3 |
| InChIKey | DHNRXBZYEKSXIM-UHFFFAOYSA-N |
| Boiling Point | 109.7 °C |
| Melting Point | 42-45 °C |
| Density | 1.26-1.33 g/mL |
| Complexity | 156 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.9702126 |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 148.9702126 |
| Physical State | Clear yellowish liquid |
| Rotatable Bond Count | 0 |
| 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 |
※ Please kindly note that our products are for research use only.
