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Ethyl 2-amino-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

CAS No.:
378196-87-3
Catalog Number:
AG00I7G9
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
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Product Description
Catalog Number:
AG00I7G9
Chemical Name:
Ethyl 2-amino-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CAS Number:
378196-87-3
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
MDL Number:
MFCD02654898
IUPAC Name:
ethyl 2-amino-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
InChI:
InChI=1S/C12H13NO3S/c1-3-15-12(14)10-8(6-17-11(10)13)9-5-4-7(2)16-9/h4-6H,3,13H2,1-2H3
InChI Key:
BGFHMNNBBDLFDU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1c1ccc(o1)C
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties