Ethanethioic acid, S-(tetrahydro-2,5-dioxo-3-furanyl) ester


Chemical Name: Ethanethioic acid, S-(tetrahydro-2,5-dioxo-3-furanyl) ester
CAS Number: 6953-60-2
Product Number: AG005X9R(AGN-PC-01Z8KZ)
Synonyms:
MDL No:
Molecular Formula: C6H6O4S
Molecular Weight: 174.1744

Identification/Properties


Properties
MP:
83-86 °C(lit.)
BP:
354.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Stability:
Hygroscopic
Computed Properties
Molecular Weight:
174.17g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
173.999g/mol
Monoisotopic Mass:
173.999g/mol
Topological Polar Surface Area:
85.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
223
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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