Benzo[b]thiophene-2-carbonitrile


Chemical Name: Benzo[b]thiophene-2-carbonitrile
CAS Number: 55219-11-9
Product Number: AG00I9UM(AGN-PC-0JLGFS)
Synonyms:
MDL No:
Molecular Formula: C9H5NS
Molecular Weight: 159.2077

Identification/Properties


Computed Properties
Molecular Weight:
159.206g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
159.014g/mol
Monoisotopic Mass:
159.014g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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