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
    2.8951   -0.4268   -1.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2048    0.6647   -0.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    0.8314    0.6419 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.4108    2.2751    1.0521 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2086   -0.0210    1.6081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    0.2567    0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2156    1.1323    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163    0.6768    0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430   -0.6481    0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450   -1.5441    0.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4549   -1.0749    0.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3681   -0.5341   -2.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076   -1.2314   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107    1.4567   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0352    2.1887    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3511    1.3507   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7823   -1.0035    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408   -2.5914    1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455   -1.7578    1.1120 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