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
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
-3.5045 -0.6182 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 -0.0518 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3420 0.7604 0.6668 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.6684 0.3247 2.0719 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4878 2.2584 0.5657 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3174 0.3522 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 1.0971 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3892 0.7270 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9613 -0.3857 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1863 -1.1497 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8781 -0.7651 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8255 -0.5753 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1236 -1.1170 -0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0158 -0.0836 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 1.9867 -1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9874 1.3197 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9884 -0.6795 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 -2.0433 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2624 -1.3569 1.5448 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