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
   -2.3438    1.1626   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3987   -0.0176   -0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -1.2651   -0.7380 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.7139   -2.3294    0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -1.8248   -2.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946   -0.5454    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689   -0.5034    1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943    0.0721    1.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    0.5920    1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163    0.5358   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -0.0258   -0.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0777    1.9241   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956    1.3225    0.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2231   -0.2020   -1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440   -0.9161    1.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413    0.0993    3.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    1.0435    1.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    0.9335   -0.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656   -0.0559   -1.8612 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