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
    3.2475    0.5204    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.5201    0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2992   -0.7872   -0.9242 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.1955   -2.2566   -1.2301 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -0.0813   -2.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065   -0.2273   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1569   -1.1199    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256   -0.7331    0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8665    0.5615    0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834    1.4211   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7196    1.0558   -0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962    1.1968   -0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369    0.6617    1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4965   -1.1976    1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8664   -2.1515    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1141   -1.4271    0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8472    0.9113    0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2967    2.4357   -0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240    1.7374   -1.2102 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