CAS 4506-71-2 | Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate | CAS Number 4506-71-2

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4506-71-2 | Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

CAS No: 4506-71-2 Catalog No: AG003Q32 MDL No:MFCD00005862

Product Description

Catalog Number:

AG003Q32

Chemical Name:

Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

CAS Number:

4506-71-2

Molecular Formula:

C11H15NO2S

Molecular Weight:

225.3073

MDL Number:

MFCD00005862

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.306g/mol

Monoisotopic Mass:

225.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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