Dibenzo[b,e]thiepin-11(6H)-one


Chemical Name: Dibenzo[b,e]thiepin-11(6H)-one
CAS Number: 1531-77-7
Product Number: AG0034P8(AGN-PC-0JLB5T)
Synonyms:
MDL No:
Molecular Formula: C14H10OS
Molecular Weight: 226.2936

Identification/Properties


Properties
MP:
86-88 °C(lit.)
BP:
405.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5700 (estimate)
Computed Properties
Molecular Weight:
226.293g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
226.045g/mol
Monoisotopic Mass:
226.045g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
276
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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