Home Carboxys ethyl 2-amino-4-tert-butylthiophene-3-carboxylate

ethyl 2-amino-4-tert-butylthiophene-3-carboxylate

CAS No.:
827614-39-1
Catalog Number:
AG01AHRF
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
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Product Description
Catalog Number:
AG01AHRF
Chemical Name:
ethyl 2-amino-4-tert-butylthiophene-3-carboxylate
CAS Number:
827614-39-1
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
MDL Number:
MFCD04973952
IUPAC Name:
ethyl 2-amino-4-tert-butylthiophene-3-carboxylate
InChI:
InChI=1S/C11H17NO2S/c1-5-14-10(13)8-7(11(2,3)4)6-15-9(8)12/h6H,5,12H2,1-4H3
InChI Key:
IWVRKUNQDJPEOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1C(C)(C)C
Properties
Complexity:
237  
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:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties