Home Amines 96334-44-0
96334-44-0,MFCD00459036
Catalog No.:AA00IJQ2
Benzo[b]thiophene-3-carboxylic acid,2-amino-4,5,6,7-tetrahydro-7-oxo-, ethyl ester | 96334-44-0
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1g
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5g
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10g
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25g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IJQ2
Chemical Name:
Benzo[b]thiophene-3-carboxylic acid,2-amino-4,5,6,7-tetrahydro-7-oxo-, ethyl ester
CAS Number:
96334-44-0
Molecular Formula:
C16H26ClNO3
Molecular Weight:
315.8355
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
Properties
Computed 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  

Synonyms
 
96334-44-0 
ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 
MLS001029425 
ARONIS25093 
SCHEMBL3091939 
CHEMBL1712803 
CTK6F5416 
DTXSID40385227 
KHNVFGZAADIYSH-UHFFFAOYSA-N 
HMS2807F20 
KS-000011OD 
KS-000046ZW 
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
ZINC3683330 
4521AF 
BBL007797 
MFCD00459036 
SBB017472 
STK279733 
AKOS000275754 
CCG-125017 
MCULE-1822133403 
2-Amino-7-oxo-4,5,6,7-tetrahydro-be 
2-Amino-7-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
AJ-45335 
AK137906 
AS-46985 
SMR000425535 
ST078470 
AB0196920 
AX8259474 
BB0258757 
TR-042054 
BB 0258757 
ethyl 2-amino-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate 
nzo[b]thiophene-3-carboxylic acid ethyl ether 
A57070 
Z-9218 
SR-01000454814 
SR-01000454814-1 
2-amino-3-ethoxycarbonyl-7-oxo-4,5,6,7-tetrahydrobenzo(b)thiophene 
ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate 
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AldrichCPR 
C11H13NO3S 
ZINC03683330 
ethyl 2-amino-7-oxo-4,5,6-trihydrobenzo[b]thiophene-3-carboxylate 
ACN-043680 
CID2829045 
N/A 
AC1MD0P3 
Oprea1_395742 
Oprea1_704151 
CBDivE_003907 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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