ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate


Chemical Name: ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
CAS Number: 58168-20-0
Product Number: AG00IACP(AGN-PC-0KKB9X)
Synonyms:
MDL No:
Molecular Formula: C12H14N2O4S
Molecular Weight: 282.3156

Identification/Properties


Properties
MP:
134-139°C
BP:
469.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
282.314g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
282.067g/mol
Monoisotopic Mass:
282.067g/mol
Topological Polar Surface Area:
131A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
392
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


NMR Spectrum


Other Analytical Data


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