Name: Name:Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Brand: Angene
SKU: AG003Q39
Rating: 90 (10 reviews)

Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS No.:

40106-13-6

Catalog Number:

AG003Q39

Molecular Formula:

C12H17NO2S

Molecular Weight:

239.3339

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Product Description

Catalog Number:

AG003Q39

Chemical Name:

Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS Number:

40106-13-6

Molecular Formula:

C12H17NO2S

Molecular Weight:

239.3339

MDL Number:

MFCD00216932

IUPAC Name:

ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

InChI:

InChI=1S/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3

InChI Key:

XTUHIGALMIGZST-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(N)sc2c1CCCCC2

UNII:

Y0J6EW5JJ4

NSC Number:

158551

Properties

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.333g/mol

Monoisotopic Mass:

239.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors.	Journal of medicinal chemistry 20020117

Properties