4H-Thiopyran-4-one, tetrahydro-


Chemical Name: 4H-Thiopyran-4-one, tetrahydro-
CAS Number: 1072-72-6
Product Number: AG003UP9(AGN-PC-0JL715)
Synonyms:
MDL No:
Molecular Formula: C5H8OS
Molecular Weight: 116.1814

Identification/Properties


Properties
MP:
60-64 °C
BP:
218.7 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5100 (estimate)
Computed Properties
Molecular Weight:
116.178g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
116.03g/mol
Monoisotopic Mass:
116.03g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
72.1
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/Tetrahydro-4H-thiopyran-4-one-1072-72-6-hnmr.pdf

Other Analytical Data


POTHER/Tetrahydro-4H-thiopyran-4-one-1072-72-6-gc.pdf

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