Home Nitriles 3-Oxo-3-(3-thienyl)propanenitrile

3-Oxo-3-(3-thienyl)propanenitrile

CAS No.:
69879-30-7
Catalog Number:
AG0036QZ
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
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Product Description
Catalog Number:
AG0036QZ
Chemical Name:
3-Oxo-3-(3-thienyl)propanenitrile
CAS Number:
69879-30-7
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD00111016
IUPAC Name:
3-oxo-3-thiophen-3-ylpropanenitrile
InChI:
InChI=1S/C7H5NOS/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5H,1H2
InChI Key:
IWPZODDPZNLDAM-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cscc1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties