Home Nitriles Benzo[b]thiophene-2-acetonitrile

Benzo[b]thiophene-2-acetonitrile

CAS No.:
75444-80-3
Catalog Number:
AG008Q3C
Molecular Formula:
C10H7NS
Molecular Weight:
173.2343
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Product Description
Catalog Number:
AG008Q3C
Chemical Name:
Benzo[b]thiophene-2-acetonitrile
CAS Number:
75444-80-3
Molecular Formula:
C10H7NS
Molecular Weight:
173.2343
MDL Number:
MFCD12403407
IUPAC Name:
2-(1-benzothiophen-2-yl)acetonitrile
InChI:
InChI=1S/C10H7NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5H2
InChI Key:
SPJJYCYYBXUZCP-UHFFFAOYSA-N
SMILES:
N#CCc1cc2c(s1)cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.233g/mol
Monoisotopic Mass:
173.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties