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Home Carboxys 2-Thiophenecarboxylicacid, 3-amino-5-phenyl-, ethyl ester

2-Thiophenecarboxylicacid, 3-amino-5-phenyl-, ethyl ester

CAS No.:
88534-50-3
Catalog Number:
AG0046O8
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
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Product Description
Catalog Number:
AG0046O8
Chemical Name:
2-Thiophenecarboxylicacid, 3-amino-5-phenyl-, ethyl ester
CAS Number:
88534-50-3
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD00445387
IUPAC Name:
ethyl 3-amino-5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChI Key:
ALFMTFUIVUKCCM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(cc1N)c1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
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