Name: Name:3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Brand: Angene
SKU: AG019NN9
Rating: 90 (10 reviews)

3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

CAS No.:

247206-87-7

Catalog Number:

AG019NN9

Molecular Formula:

C15H14BrNOS

Molecular Weight:

336.2468

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Purity

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Product Description

Catalog Number:

AG019NN9

Chemical Name:

3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

CAS Number:

247206-87-7

Molecular Formula:

C15H14BrNOS

Molecular Weight:

336.2468

MDL Number:

MFCD02738697

IUPAC Name:

(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone

InChI:

InChI=1S/C15H14BrNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2

InChI Key:

FQABKSSRXRPGDZ-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)C(=O)c1c(N)sc2c1CCCC2

Properties

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

334.998g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.247g/mol

Monoisotopic Mass:

334.998g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1

Literature

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