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Home Nitriles 2-amino-4H,5H-naphtho[2,1-b]thiophene-1-carbonitrile

2-amino-4H,5H-naphtho[2,1-b]thiophene-1-carbonitrile

CAS No.:
37071-20-8
Catalog Number:
AG019VZL
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
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Product Description
Catalog Number:
AG019VZL
Chemical Name:
2-amino-4H,5H-naphtho[2,1-b]thiophene-1-carbonitrile
CAS Number:
37071-20-8
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD00128275
IUPAC Name:
2-amino-4,5-dihydrobenzo[e][1]benzothiole-1-carbonitrile
InChI:
InChI=1S/C13H10N2S/c14-7-10-12-9-4-2-1-3-8(9)5-6-11(12)16-13(10)15/h1-4H,5-6,15H2
InChI Key:
KMUDCZOBMKTNNP-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc2c1c1ccccc1CC2
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Synthesis and screening of some novel fused thiophene and thienopyrimidine derivatives for anti-avian influenza virus (H5N1) activity. European journal of medicinal chemistry 20101101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties