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
-3.1679 0.6084 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4844 -0.3896 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2442 -1.2599 0.2729 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.1156 -2.6474 -0.2791 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6263 -1.4139 1.7321 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3043 -0.4416 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6688 0.5138 1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8872 1.1827 0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7700 0.8981 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4206 -0.0602 -0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1977 -0.7112 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9160 1.1055 -0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9693 0.9232 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6896 -0.7026 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0096 0.7524 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1841 1.9362 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7133 1.4291 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1268 -0.2691 -1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9498 -1.4539 -1.6264 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