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
2.8951 -0.4268 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2048 0.6647 -0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4392 0.8314 0.6419 S 0 0 0 0 0 6 0 0 0 0 0 0
1.4108 2.2751 1.0521 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2086 -0.0210 1.6081 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2062 0.2567 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2156 1.1323 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5163 0.6768 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7430 -0.6481 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -1.5441 0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4549 -1.0749 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3681 -0.5341 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0076 -1.2314 -0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1107 1.4567 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0352 2.1887 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3511 1.3507 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7823 -1.0035 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9408 -2.5914 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3455 -1.7578 1.1120 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