3H-1,2-Benzodithiol-3-one, 1,1-dioxide


Chemical Name: 3H-1,2-Benzodithiol-3-one, 1,1-dioxide
CAS Number: 66304-01-6
Product Number: AG0033PU(AGN-PC-0KNSTE)
Synonyms:
MDL No: MFCD00132960
Molecular Formula: C7H4O3S2
Molecular Weight: 200.2349

Identification/Properties


Properties
MP:
103-107 °C(lit.)
BP:
414.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
200.226g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
199.96g/mol
Monoisotopic Mass:
199.96g/mol
Topological Polar Surface Area:
84.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
301
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

Safety Information


NMR Spectrum


Other Analytical Data


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