Home Carbonyls 2-(thiophene-2-carbonyl)-1-benzofuran-3-amine

2-(thiophene-2-carbonyl)-1-benzofuran-3-amine

CAS No.:
775315-02-1
Catalog Number:
AG00ICV2
Molecular Formula:
C13H9NO2S
Molecular Weight:
243.2811
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Product Description
Catalog Number:
AG00ICV2
Chemical Name:
2-(thiophene-2-carbonyl)-1-benzofuran-3-amine
CAS Number:
775315-02-1
Molecular Formula:
C13H9NO2S
Molecular Weight:
243.2811
MDL Number:
MFCD06345763
IUPAC Name:
(3-amino-1-benzofuran-2-yl)-thiophen-2-ylmethanone
InChI:
InChI=1S/C13H9NO2S/c14-11-8-4-1-2-5-9(8)16-13(11)12(15)10-6-3-7-17-10/h1-7H,14H2
InChI Key:
POWVVEYISURNNE-UHFFFAOYSA-N
SMILES:
O=C(c1oc2c(c1N)cccc2)c1cccs1
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.28g/mol
Monoisotopic Mass:
243.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
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
Properties