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
cid=

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
   -3.4779    0.5258   -0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3003   -0.0705   -0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4033   -0.2683    0.8598 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.6647   -1.6045    1.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.8448    1.8341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -0.1365    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9502    1.0765    0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2992    1.1391    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112   -0.0057   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3192   -1.1853   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9707   -1.2887    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8809    0.8855    0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    0.6598   -1.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.4357   -1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    1.9916    0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606    2.1164    0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488    0.1153   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523   -2.0882   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -2.2714    0.1107 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