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
-3.4884 -0.6188 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4783 -0.0105 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3629 0.9790 -0.4808 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.5229 2.4400 -0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5490 0.7603 -1.9714 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3124 0.5717 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 1.1854 0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3210 0.8694 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9581 -0.0761 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.7104 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9946 -0.3686 -0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1933 -1.2457 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6233 -0.5039 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 -0.1319 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5118 1.9364 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8383 1.3643 1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9913 -0.3445 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8457 -1.4476 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4838 -0.8742 -1.7138 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