Home Sulfos 5-methanesulfonylthiophene-2-carbonitrile

5-methanesulfonylthiophene-2-carbonitrile

CAS No.:
859794-80-2
Catalog Number:
AG01C3I6
Molecular Formula:
C6H5NO2S2
Molecular Weight:
187.2394
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Product Description
Catalog Number:
AG01C3I6
Chemical Name:
5-methanesulfonylthiophene-2-carbonitrile
CAS Number:
859794-80-2
Molecular Formula:
C6H5NO2S2
Molecular Weight:
187.2394
MDL Number:
MFCD29762809
IUPAC Name:
5-methylsulfonylthiophene-2-carbonitrile
InChI:
InChI=1S/C6H5NO2S2/c1-11(8,9)6-3-2-5(4-7)10-6/h2-3H,1H3
InChI Key:
AKVGEYXEAOPJEO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(s1)S(=O)(=O)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.976g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.231g/mol
Monoisotopic Mass:
186.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties