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4506-71-2,MFCD00075508
Catalog No.:AA003Q0A

4506-71-2 | Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
95%
in stock  
$24.00   $17.00
- +
25g
98%
in stock  
$26.00   $18.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q0A
Chemical Name:
Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Number:
4506-71-2
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD00075508
SMILES:
CCOC(=O)c1c(N)sc2c1CCCC2
NSC Number:
99005
Properties
Properties
 
BP:
407.5 °C at 760 mmHg  
Form:
Solid  
MP:
114-116 °C(lit.);  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Literature

Title: Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists.

Journal: European journal of medicinal chemistry 20100101

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

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

Title: 2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors.

Journal: Journal of medicinal chemistry 20020117

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SDS
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Tags:4506-71-2 Molecular Formula|4506-71-2 MDL|4506-71-2 SMILES|4506-71-2 Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Catalog No.: AA003Q0A
4506-71-2,MFCD00075508
4506-71-2 | Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Pack Size： 1g
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 5g
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 25g
Purity： 98%
in stock
$26.00 $18.00
Quantity
- +
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Technical Information
Catalog Number: AA003Q0A
Chemical Name: Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Number: 4506-71-2
Molecular Formula: C11H15NO2S
Molecular Weight: 225.3073
MDL Number: MFCD00075508
SMILES: CCOC(=O)c1c(N)sc2c1CCCC2
NSC Number: 99005
Properties
BP: 407.5 °C at 760 mmHg  
Form: Solid  
MP: 114-116 °C(lit.);  
Storage: Inert atmosphere;-20 ℃;  
Complexity: 247  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Literature fold

Title: Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists.

Journal: European journal of medicinal chemistry20100101

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 Cytology20060501

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology20050601

Title: 2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors.

Journal: Journal of medicinal chemistry20020117

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