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
   -3.0522   -0.4443    1.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4877    0.5745    0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4529    0.3765   -0.9117 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.5257    1.5616   -1.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9302   -0.8249   -1.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168    0.1599   -0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7193   -1.1207   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0383   -1.3291    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9144   -0.2726    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.9871    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1035    1.2036   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6914   -0.3392    1.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449   -1.4481    0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6876    1.5676    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654   -1.9776   -0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395   -2.3184    0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9561   -0.3865    0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892    1.8245    0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    2.2059   -0.5044 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