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Home Carboxys Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS No.:
96334-44-0
Catalog Number:
AG00IJSU
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%(GC)
In Stock USA
United States
$51
- +
250mg
98%(GC)
In Stock USA
United States
$85
- +
1g
98%
In Stock USA
United States
$94
- +
5g
98%
In Stock USA
United States
$319
- +
10g
98%
In Stock USA
United States
$500
- +
25g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG00IJSU
Chemical Name:
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number:
96334-44-0
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD00459036
IUPAC Name:
ethyl 2-amino-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C11H13NO3S/c1-2-15-11(14)8-6-4-3-5-7(13)9(6)16-10(8)12/h2-5,12H2,1H3
InChI Key:
KHNVFGZAADIYSH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc2c1CCCC2=O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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