Home Nitriles 4-(thiophen-3-yl)butanenitrile

4-(thiophen-3-yl)butanenitrile

CAS No.:
1339835-81-2
Catalog Number:
AG01A6FU
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
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Product Description
Catalog Number:
AG01A6FU
Chemical Name:
4-(thiophen-3-yl)butanenitrile
CAS Number:
1339835-81-2
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
MDL Number:
MFCD19641355
IUPAC Name:
4-thiophen-3-ylbutanenitrile
InChI:
InChI=1S/C8H9NS/c9-5-2-1-3-8-4-6-10-7-8/h4,6-7H,1-3H2
InChI Key:
OBBXIVWULHMUBX-UHFFFAOYSA-N
SMILES:
N#CCCCc1cscc1
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.046g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.227g/mol
Monoisotopic Mass:
151.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties