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
3.5256 0.8268 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2867 0.8549 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 -0.6246 0.3300 S 0 0 0 0 0 6 0 0 0 0 0 0
1.8823 -0.9446 1.7221 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9164 -1.7383 -0.5917 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2763 -0.3853 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9509 -0.6629 -0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3241 -0.4772 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0695 -0.0025 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3773 0.2713 1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0172 0.0900 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0051 1.7468 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0294 -0.1196 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7296 1.7894 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3804 -1.0354 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8640 -0.6930 -1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1390 0.1445 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9435 0.6481 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4856 0.3116 2.1922 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