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
   -3.6621   -0.2264    0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3614   -0.0172    0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390   -0.4953   -0.5908 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.6965    0.2735   -1.8528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -1.9774   -0.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527   -0.1109   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1711   -1.0223    0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800   -0.7204    0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201    0.4913    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    1.3987   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8898    1.1063   -0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361    0.0507    1.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0877   -0.7084   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238    0.4606    1.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294   -1.9820    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978   -1.4433    1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.7165    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720    2.3680   -0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    1.8380   -1.0950 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