Ethanethioic acid, S-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl] ester


Chemical Name: Ethanethioic acid, S-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl] ester
CAS Number: 84271-78-3
Product Number: AG003TCK(AGN-PC-0L5IEL)
Synonyms:
MDL No:
Molecular Formula: C9H11NO4S
Molecular Weight: 229.2529

Identification/Properties


Properties
MP:
48-50°C
BP:
366.1±44.0 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
245.249g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
245.036g/mol
Monoisotopic Mass:
245.036g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
325
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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