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
   -3.6789    0.3426   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031    0.1820   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227   -0.4933    0.7452 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.5415    0.1641    2.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6246   -1.9608    0.8518 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532   -0.2417    0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -1.1562   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770   -0.9198   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    0.2326   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3197    1.1514    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790    0.9062    0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3419    0.7618   -0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0265    0.0508    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    0.4729   -1.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5852   -2.0607   -0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784   -1.5968   -1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0529    0.4531   -0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7827    2.0493    0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4818    1.6625    1.3509 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