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
   -3.4089    1.0611    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822    0.5514    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4540   -0.7716   -0.3387 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.9984   -1.0175   -1.7133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6195   -1.9942    0.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2650   -0.4244   -0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102    0.2491   -1.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    0.5228   -1.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    0.0992   -0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434   -0.5863    0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905   -0.8413    0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8713    0.6829   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8705    1.8719    0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086    0.9338    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1835    0.5852   -2.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720    1.0596   -2.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398    0.3035   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925   -0.9082    1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6896   -1.3770    1.5086 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