4H-Thiopyran-4-one, tetrahydro-, 1,1-dioxide


Chemical Name: 4H-Thiopyran-4-one, tetrahydro-, 1,1-dioxide
CAS Number: 17396-35-9
Product Number: AG001ZC4(AGN-PC-0JNX5I)
Synonyms:
MDL No:
Molecular Formula: C5H8O3S
Molecular Weight: 148.1802

Identification/Properties


Computed Properties
Molecular Weight:
148.176g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
148.019g/mol
Monoisotopic Mass:
148.019g/mol
Topological Polar Surface Area:
59.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
193
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-H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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