Home Nitriles 2-amino-5-phenylthiophene-3-carbonitrile

2-amino-5-phenylthiophene-3-carbonitrile

CAS No.:
60271-29-6
Catalog Number:
AG019VK5
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
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Product Description
Catalog Number:
AG019VK5
Chemical Name:
2-amino-5-phenylthiophene-3-carbonitrile
CAS Number:
60271-29-6
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
MDL Number:
MFCD06803446
IUPAC Name:
2-amino-5-phenylthiophene-3-carbonitrile
InChI:
InChI=1S/C11H8N2S/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2
InChI Key:
WEAZGHUZIQFNLY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(sc1N)c1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties