Home Nitriles 2-(thiophen-2-yl)propanenitrile

2-(thiophen-2-yl)propanenitrile

CAS No.:
88701-59-1
Catalog Number:
AG01AJV3
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
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Product Description
Catalog Number:
AG01AJV3
Chemical Name:
2-(thiophen-2-yl)propanenitrile
CAS Number:
88701-59-1
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
MDL Number:
MFCD11592186
IUPAC Name:
2-thiophen-2-ylpropanenitrile
InChI:
InChI=1S/C7H7NS/c1-6(5-8)7-3-2-4-9-7/h2-4,6H,1H3
InChI Key:
QTOABKRIUPTTPQ-UHFFFAOYSA-N
SMILES:
N#CC(c1cccs1)C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.03g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.2g/mol
Monoisotopic Mass:
137.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties