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
3.5134 0.6282 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3961 0.6040 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3838 -0.8242 -0.3383 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5806 -1.6007 -1.6021 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7470 -1.7350 0.8148 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3145 -0.3850 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 -0.2919 1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 0.0477 1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9812 0.3039 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4386 0.2139 -1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1145 -0.1288 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8151 -0.2234 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1276 1.5055 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0683 1.4409 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2659 -0.4870 2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6465 0.1296 2.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0269 0.5750 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0978 0.4234 -1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7014 -0.1962 -2.2117 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