Benzo[b]thiophen-3(2H)-one, 2-(3-oxobenzo[b]thien-2(3H)-ylidene)-


Chemical Name: Benzo[b]thiophen-3(2H)-one, 2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
CAS Number: 522-75-8
Product Number: AG003USD(AGN-PC-0JL8C1)
Synonyms:
MDL No:
Molecular Formula: C16H8O2S2
Molecular Weight: 296.3635

Identification/Properties


Properties
MP:
280°C(lit.)
BP:
409.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5341 (estimate)
Computed Properties
Molecular Weight:
296.358g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
295.997g/mol
Monoisotopic Mass:
295.997g/mol
Topological Polar Surface Area:
84.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
453
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H317-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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