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
2.9406 1.0304 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5106 -0.0229 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3802 -1.1196 -0.3491 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5110 -2.4780 0.2792 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6799 -1.2240 -1.8138 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2373 -0.4807 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8211 0.3737 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1008 0.8692 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8349 0.5314 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2478 -0.3238 1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9684 -0.8169 1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 1.6936 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5992 1.2219 -1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8413 -0.2321 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2324 0.6340 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5484 1.5407 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8388 0.9197 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7910 -0.6185 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4847 -1.4980 1.7218 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