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
2.8112 0.9204 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5980 -0.3817 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2829 -1.1263 0.6649 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5545 -0.8948 2.1225 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 -2.5813 0.3269 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2646 -0.4355 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9829 -0.9942 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2033 -0.4497 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6899 0.6478 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9892 1.2251 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7733 0.6581 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6083 1.3757 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1870 1.5229 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2315 -0.9722 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5864 -1.8556 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7395 -0.9125 -1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6455 1.0606 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4087 2.0801 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2235 1.1129 1.7304 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