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
3.5661 0.6404 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3403 0.2057 -0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3934 -0.2243 0.6070 S 0 0 0 0 0 6 0 0 0 0 0 0
1.8148 0.7102 1.7281 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7771 -1.6458 0.9754 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -0.1503 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 -1.2731 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 -1.2606 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0531 -0.1049 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4240 1.0348 0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0527 0.9843 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2313 0.9319 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0018 0.7367 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9197 0.1138 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4370 -2.2160 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8034 -2.1792 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1301 -0.0981 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9926 1.9210 0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5515 1.8736 0.9093 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