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
   -3.1586    0.1629   -1.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9434    0.4826   -1.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5440    0.1028    0.1193 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.0946    1.2064    0.9823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2460   -1.1663    0.4794 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921   -0.0548    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159    1.0714    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922    0.9708    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9287   -0.2399    0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878   -1.3558    0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075   -1.2787    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4595    0.3796   -2.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974   -0.3153   -1.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    0.9610   -2.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4742    2.0513    0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    1.8380    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0006   -0.3312    0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -2.3116    0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2331   -2.1733   -0.0951 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