Home Nitriles 2-methyl-3-oxo-3-(thiophen-3-yl)propanenitrile

2-methyl-3-oxo-3-(thiophen-3-yl)propanenitrile

CAS No.:
1152626-12-4
Catalog Number:
AG01C5LG
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
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Product Description
Catalog Number:
AG01C5LG
Chemical Name:
2-methyl-3-oxo-3-(thiophen-3-yl)propanenitrile
CAS Number:
1152626-12-4
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD11105097
IUPAC Name:
2-methyl-3-oxo-3-thiophen-3-ylpropanenitrile
InChI:
InChI=1S/C8H7NOS/c1-6(4-9)8(10)7-2-3-11-5-7/h2-3,5-6H,1H3
InChI Key:
XEMNBVRYBCEAHU-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1cscc1)C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties