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
3.4871 0.4203 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2859 -0.0825 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3609 -0.8466 -0.3606 S 0 0 0 0 0 6 0 0 0 0 0 0
1.4472 -2.3549 -0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8230 -0.4239 -1.7186 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3036 -0.3377 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2262 -1.0207 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5255 -0.5659 0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9268 0.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0130 1.2581 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7164 0.8000 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 0.8941 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8758 0.3394 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8859 -0.0093 1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 -1.9300 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2561 -1.1173 1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9698 0.8847 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 2.1510 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0121 1.3735 -1.4743 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