Name: Name:3-(3-chlorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine
Brand: Angene
SKU: AG01A55Q
Rating: 90 (10 reviews)

3-(3-chlorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine

CAS No.:

399043-34-6

Catalog Number:

AG01A55Q

Molecular Formula:

C14H12ClNOS

Molecular Weight:

277.7692

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Purity

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Product Description

Catalog Number:

AG01A55Q

Chemical Name:

3-(3-chlorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine

CAS Number:

399043-34-6

Molecular Formula:

C14H12ClNOS

Molecular Weight:

277.7692

MDL Number:

MFCD25371587

IUPAC Name:

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-chlorophenyl)methanone

InChI:

InChI=1S/C14H12ClNOS/c15-9-4-1-3-8(7-9)13(17)12-10-5-2-6-11(10)18-14(12)16/h1,3-4,7H,2,5-6,16H2

InChI Key:

YOLMMCXSTIHBBG-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)C(=O)c1c(N)sc2c1CCC2

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

277.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

277.766g/mol

Monoisotopic Mass:

277.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

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