Home Nitriles 2,3-dihydro-1-benzothiophene-3-carbonitrile

2,3-dihydro-1-benzothiophene-3-carbonitrile

CAS No.:
342616-11-9
Catalog Number:
AG01AMA4
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
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Product Description
Catalog Number:
AG01AMA4
Chemical Name:
2,3-dihydro-1-benzothiophene-3-carbonitrile
CAS Number:
342616-11-9
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
MDL Number:
MFCD21827136
IUPAC Name:
2,3-dihydro-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C9H7NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7H,6H2
InChI Key:
FVYAQOABCMAHIE-UHFFFAOYSA-N
SMILES:
N#CC1CSc2c1cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties