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
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
-2.3438 1.1626 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3987 -0.0176 -0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2125 -1.2651 -0.7380 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.7139 -2.3294 0.1824 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8099 -1.8248 -2.0664 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1946 -0.5454 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2689 -0.5034 1.3772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3943 0.0721 1.9351 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4185 0.5920 1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3163 0.5358 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 -0.0258 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0777 1.9241 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4956 1.3225 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2231 -0.2020 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 -0.9161 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4413 0.0993 3.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3014 1.0435 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1000 0.9335 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1656 -0.0559 -1.8612 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