Home Nitriles 4-ethylthiophene-3-carbonitrile

4-ethylthiophene-3-carbonitrile

CAS No.:
1469176-03-1
Catalog Number:
AG01EJUC
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
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Product Description
Catalog Number:
AG01EJUC
Chemical Name:
4-ethylthiophene-3-carbonitrile
CAS Number:
1469176-03-1
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
MDL Number:
MFCD31665625
IUPAC Name:
4-ethylthiophene-3-carbonitrile
InChI:
InChI=1S/C7H7NS/c1-2-6-4-9-5-7(6)3-8/h4-5H,2H2,1H3
InChI Key:
CKVUUUXOVCCSPF-UHFFFAOYSA-N
SMILES:
CCc1cscc1C#N
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties