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Home Carboxys Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate

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

CAS No.:
4506-71-2
Catalog Number:
AG003Q32
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$24
- +
25g
98%
In Stock USA
United States
$62
- +
100g
98%
In Stock USA
United States
$187
- +
500g
98%
In Stock USA
United States
$888
- +
Product Description
Catalog Number:
AG003Q32
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
IUPAC Name:
ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChI Key:
CDYVTVLXEWMCHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc2c1CCCC2
EC Number:
224-823-1
NSC Number:
99005
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists. European journal of medicinal chemistry 20100101
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
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors. Journal of medicinal chemistry 20020117
Properties