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
    3.5969   -0.2065   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988   -0.5617    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706    0.6485    0.9210 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.3694    0.8003    2.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    2.0035    0.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552    0.2742    0.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635    0.7161   -0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670    0.4074   -1.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9288   -0.3440   -0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4672   -0.7990    0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1643   -0.4818    1.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745    0.8302   -0.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3482   -0.9163   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -1.6132    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853    1.3141   -1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409    0.7748   -2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9440   -0.5802   -0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0693   -1.4076    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204   -0.8588    2.1944 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