1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide


Chemical Name: 1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide
CAS Number: 15448-99-4
Product Number: AG003HOO(AGN-PC-0JKJCA)
Synonyms:
MDL No:
Molecular Formula: C8H7NO3S
Molecular Weight: 197.2111

Identification/Properties


Properties
MP:
131 °C
BP:
366.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
197.208g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
197.015g/mol
Monoisotopic Mass:
197.015g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
330
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
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



2-Methylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide, also known as $name$, is a versatile compound widely used in chemical synthesis. Its unique structure and properties make it an essential building block in organic chemistry. In the field of chemical synthesis, $name$ serves as a valuable intermediate for the preparation of various functionalized compounds. Due to its reactive nature, it can undergo a variety of transformations, including substitution, addition, and condensation reactions, leading to the synthesis of complex molecules with diverse applications in pharmaceuticals, agrochemicals, and materials science. Its presence in synthetic pathways enables the efficient and strategic construction of targeted molecules with specific functionalities, making it a valuable tool for synthetic chemists.