2H-Thiopyran-3,5(4H,6H)-dione


Chemical Name: 2H-Thiopyran-3,5(4H,6H)-dione
CAS Number: 6881-49-8
Product Number: AG006H4X(AGN-PC-0JM435)
Synonyms:
MDL No:
Molecular Formula: C5H6O2S
Molecular Weight: 130.1649

Identification/Properties


Properties
MP:
80-81°C
BP:
257.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
130.161g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
130.009g/mol
Monoisotopic Mass:
130.009g/mol
Topological Polar Surface Area:
59.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
116
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-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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