1,2-Benzisothiazole, 2,3-dihydro-, 1,1-dioxide


Chemical Name: 1,2-Benzisothiazole, 2,3-dihydro-, 1,1-dioxide
CAS Number: 936-16-3
Product Number: AG00GUVP(AGN-PC-0JKBAA)
Synonyms:
MDL No:
Molecular Formula: C7H7NO2S
Molecular Weight: 169.2010

Identification/Properties


Properties
MP:
105-107 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
169.198g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
169.02g/mol
Monoisotopic Mass:
169.02g/mol
Topological Polar Surface Area:
54.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
242
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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



2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide is a versatile compound used in chemical synthesis for the preparation of a wide range of organic molecules. Its unique structure makes it valuable for a variety of applications, particularly in the synthesis of pharmaceuticals and agrochemicals. This compound serves as a key building block in the production of heterocyclic compounds, which are essential in drug discovery and development. Additionally, its ability to undergo various chemical transformations makes it a valuable tool in organic chemistry research, enabling the creation of novel compounds with diverse properties.