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
3.3040 0.0026 -0.8977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4637 0.5657 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3613 -0.3918 0.9190 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5481 0.0591 2.3557 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7510 -1.8242 0.7892 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.1749 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -0.9887 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 -0.8038 -0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9446 0.1865 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4029 1.0067 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0920 0.8041 0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3104 -1.0696 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9800 0.5860 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4602 1.6637 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2257 -1.7639 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5720 -1.4657 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9825 0.3425 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9901 1.8116 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6640 1.4541 1.7055 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