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
   -3.0264    0.1402    0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5415   -0.1127   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -1.2026   -0.6036 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.3775   -2.3697    0.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195   -1.7122   -2.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3058   -0.3723   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -0.3474    0.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522    0.2864    1.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7175    0.9503    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689    0.9453   -1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.2986   -1.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445    0.8051    1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.3523    1.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0226    0.3994   -1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3543   -0.8709    1.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5059    0.3070    2.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6583    1.4741    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    1.4618   -1.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5206    0.2720   -2.2627 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