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
   -3.6611   -0.1325    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3681   -0.3728    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2742   -0.6133   -0.8735 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.7829    0.1355   -2.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2741   -2.0801   -1.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3499   -0.0876   -0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928    1.1923   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885    1.5483   -0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9700    0.6301    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5406   -0.6549    0.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421   -0.9948    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3251    0.0143    1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0277   -0.0886   -0.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843   -0.4204    1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    1.8997   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    2.5549   -0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9857    0.8772    0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372   -1.3782    0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335   -2.0291    0.2654 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