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
3.3807 0.1998 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4095 -0.6607 0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2010 -0.9845 -0.8182 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7255 -0.4742 -2.1315 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9828 -2.4702 -0.8523 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3129 -0.2282 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6657 1.0198 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8950 1.5666 -0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 0.8725 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4776 -0.3810 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2439 -0.9161 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4973 0.7877 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0873 0.3406 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3287 -1.2302 1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0263 1.5727 -1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 2.5547 -1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8026 1.2994 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1851 -0.9529 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0422 -1.9157 0.6366 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