Benzoisothiazol-3-one-13C6


Chemical Name: Benzoisothiazol-3-one-13C6
CAS Number: 1329616-16-1
Product Number: AG01CC12(AGN-PC-0WH2EZ)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
156.145g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
156.026g/mol
Monoisotopic Mass:
156.026g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
160
Isotope Atom Count:
5
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



Benzoisothiazol-3-one-13C6 is a stable isotope-labeled compound commonly utilized in chemical synthesis applications. Its unique isotopic signature containing six carbon-13 atoms allows for precise tracing and analysis in various synthetic processes. This labeled compound is particularly valuable in research, as it enables the tracking of reaction mechanisms, product formation pathways, and compound stability in complex chemical systems. By incorporating Benzoisothiazol-3-one-13C6 into reactions, chemists can gain insights into molecular transformations, identify intermediate species, and elucidate reaction kinetics more effectively. Additionally, its enhanced stability and distinguishable isotopic composition make it an indispensable tool for studying organic reactions, pharmaceutical development, and environmental monitoring.