Home Nitriles 2-(thiophene-3-carbonyl)butanenitrile

2-(thiophene-3-carbonyl)butanenitrile

CAS No.:
1156898-73-5
Catalog Number:
AG01C5N3
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
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Product Description
Catalog Number:
AG01C5N3
Chemical Name:
2-(thiophene-3-carbonyl)butanenitrile
CAS Number:
1156898-73-5
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD12115822
IUPAC Name:
2-(thiophene-3-carbonyl)butanenitrile
InChI:
InChI=1S/C9H9NOS/c1-2-7(5-10)9(11)8-3-4-12-6-8/h3-4,6-7H,2H2,1H3
InChI Key:
YGJFXIXFSCZHAI-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1cscc1)C#N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties