Home Nitriles 4-methyl-2-(thiophene-3-carbonyl)pentanenitrile

4-methyl-2-(thiophene-3-carbonyl)pentanenitrile

CAS No.:
1247377-80-5
Catalog Number:
AG01C5T2
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
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Product Description
Catalog Number:
AG01C5T2
Chemical Name:
4-methyl-2-(thiophene-3-carbonyl)pentanenitrile
CAS Number:
1247377-80-5
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD16068907
IUPAC Name:
4-methyl-2-(thiophene-3-carbonyl)pentanenitrile
InChI:
InChI=1S/C11H13NOS/c1-8(2)5-10(6-12)11(13)9-3-4-14-7-9/h3-4,7-8,10H,5H2,1-2H3
InChI Key:
RKRATYRFYSLMEB-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1cscc1)CC(C)C
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties