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


Chemical Name: Ethanethioic acid, S-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl] ester
CAS Number: 76931-93-6
Product Number: AG003G0I(AGN-PC-0JMKYK)
Synonyms:
MDL No:
Molecular Formula: C8H9NO5S
Molecular Weight: 231.2258

Identification/Properties


Properties
MP:
84-89 °C
BP:
337.3°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
231.222g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
231.02g/mol
Monoisotopic Mass:
231.02g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
311
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-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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