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
-3.1586 0.1629 -1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9434 0.4826 -1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 0.1028 0.1193 S 0 0 0 0 0 6 0 0 0 0 0 0
-2.0946 1.2064 0.9823 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 -1.1663 0.4794 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1921 -0.0548 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9159 1.0714 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2922 0.9708 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9287 -0.2399 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 -1.3558 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8075 -1.2787 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4595 0.3796 -2.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8974 -0.3153 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2533 0.9610 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4742 2.0513 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8830 1.8380 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0006 -0.3312 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6820 -2.3116 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2331 -2.1733 -0.0951 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