Monomers

Phenyl vinyl sulfone

Identifiers

IUPAC name
ethenylsulfonylbenzene
InchI
InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
UJTPZISIAWDGFF-UHFFFAOYSA-N
SMILES
C=CS(=O)(=O)c1ccccc1
Canonical SMILES
C=CS(=O)(=O)C1=CC=CC=C1
Isomeric SMILES
C=CS(=O)(=O)C1=CC=CC=C1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H8O2S
Heavy Atom Count
11
Molecular Weight
168.217
Exact Molecular Weight
168.0245
Valence Electrons
58
Radical Electrons
0
tPSA
34.14
MolLogP
1.6038
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.2766    0.6755   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598   -0.3649   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3677   -0.8730    0.5906 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.7789   -0.3897    1.9553 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822   -2.3869    0.6866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679   -0.3086    0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305    0.8976    0.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274    1.3071    0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9137    0.5370   -0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4574   -0.6713   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1633   -1.0837   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398    0.9647   -1.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2838    1.2559    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717   -0.9293   -1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    1.5307    1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837    2.2709    0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9237    0.8832   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -1.2846   -1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7880   -2.0307   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers