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
3.5569 0.6627 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3692 0.7631 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4287 -0.6715 0.2614 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7698 -1.6627 -0.8227 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7826 -1.3308 1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2899 -0.3604 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0100 -0.4445 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3561 -0.2076 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0306 0.1326 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3536 0.2305 1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9832 -0.0187 1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9415 -0.2945 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1338 1.5567 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9666 1.7415 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4804 -0.7124 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9285 -0.2747 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1052 0.3203 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9215 0.4998 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 0.0708 2.3246 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