9H-Thioxanthen-9-one, 2,4-diethyl-


Chemical Name: 9H-Thioxanthen-9-one, 2,4-diethyl-
CAS Number: 82799-44-8
Product Number: AG003B4S(AGN-PC-0JLO3N)
Synonyms:
MDL No:
Molecular Formula: C17H16OS
Molecular Weight: 268.3733

Identification/Properties


Properties
MP:
66-70 °C
BP:
427.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
268.374g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
268.092g/mol
Monoisotopic Mass:
268.092g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
340
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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