Home Nitriles Benzo[b]thiophene-6-carbonitrile

Benzo[b]thiophene-6-carbonitrile

CAS No.:
154650-81-4
Catalog Number:
AG007XG0
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
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Product Description
Catalog Number:
AG007XG0
Chemical Name:
Benzo[b]thiophene-6-carbonitrile
CAS Number:
154650-81-4
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
MDL Number:
MFCD16877454
IUPAC Name:
1-benzothiophene-6-carbonitrile
InChI:
InChI=1S/C9H5NS/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5H
InChI Key:
GRNONARPFXAEBM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)scc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.206g/mol
Monoisotopic Mass:
159.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties