Home Nitriles 5-formylthiophene-3-carbonitrile

5-formylthiophene-3-carbonitrile

CAS No.:
51770-04-8
Catalog Number:
AG019TO3
Molecular Formula:
C6H3NOS
Molecular Weight:
137.1591
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Product Description
Catalog Number:
AG019TO3
Chemical Name:
5-formylthiophene-3-carbonitrile
CAS Number:
51770-04-8
Molecular Formula:
C6H3NOS
Molecular Weight:
137.1591
MDL Number:
MFCD15142733
IUPAC Name:
5-formylthiophene-3-carbonitrile
InChI:
InChI=1S/C6H3NOS/c7-2-5-1-6(3-8)9-4-5/h1,3-4H
InChI Key:
DLTDLUAJPULDBI-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)C#N
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.994g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.156g/mol
Monoisotopic Mass:
136.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties