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
    3.6260    0.4872    0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   -0.0398    0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3481   -0.1506   -0.6342 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.7177    0.8901   -1.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639   -1.4967   -1.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314   -0.0580   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    1.1040   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3758    1.1254    0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0447   -0.0532    0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3417   -1.2483    0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -1.2419    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3187    0.5734    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418    0.8490   -0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254   -0.3942    1.6958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5283    2.0261   -0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    2.0672    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0973   -0.0689    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746   -2.1655    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861   -2.2050    0.0619 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