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
   -2.0106   -0.3153   -2.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614   -0.9873   -1.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7783   -0.1437    0.1672 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.4452   -0.9699    1.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4917    1.1791    0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0671    0.0889    0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    1.2146    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459    1.3939    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    0.4648    1.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0022   -0.6600    1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622   -0.8415    1.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1234   -0.8426   -3.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390    0.7559   -2.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0336   -2.0722   -1.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620    1.9819   -0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737    2.2778    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344    0.6269    1.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602   -1.4110    2.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272   -1.7404    1.5707 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