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
2.6690 -0.1452 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6278 -0.2944 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1853 -0.6832 -1.4469 S 0 0 0 0 0 6 0 0 0 0 0 0
1.2676 -0.0120 -2.7886 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0433 -2.1669 -1.6400 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2538 -0.0959 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8058 1.1262 -0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 1.4957 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5715 0.6590 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0266 -0.5830 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8729 -0.9470 0.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -0.2655 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5842 0.0928 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5436 -0.1704 -1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3342 1.8004 -1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4167 2.4735 -0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4713 0.9090 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5012 -1.2565 1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4723 -1.9366 0.4408 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