5-Chloro-2-methyl-4-isothiazolin-3-one
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 |
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