Dibenzo[b,f][1,4]thiazepin-11(10H)-one


Chemical Name: Dibenzo[b,f][1,4]thiazepin-11(10H)-one
CAS Number: 3159-07-7
Product Number: AG0032NR(AGN-PC-08WSIZ)
Synonyms:
MDL No:
Molecular Formula: C13H9NOS
Molecular Weight: 227.2817

Identification/Properties


Properties
MP:
265 °C
BP:
309.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
227.281g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
227.04g/mol
Monoisotopic Mass:
227.04g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
281
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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