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Home Carboxys 3-Thiophenecarboxylic acid, 2-amino-4-(2-methylpropyl)-, ethyl ester

3-Thiophenecarboxylic acid, 2-amino-4-(2-methylpropyl)-, ethyl ester

CAS No.:
72965-15-2
Catalog Number:
AG00ICC4
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
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Product Description
Catalog Number:
AG00ICC4
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-(2-methylpropyl)-, ethyl ester
CAS Number:
72965-15-2
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
MDL Number:
MFCD03984483
IUPAC Name:
ethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
InChI:
InChI=1S/C11H17NO2S/c1-4-14-11(13)9-8(5-7(2)3)6-15-10(9)12/h6-7H,4-5,12H2,1-3H3
InChI Key:
WKTSGSNDSJZXHT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1CC(C)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.098g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.322g/mol
Monoisotopic Mass:
227.098g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
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