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
3.6481 -0.1173 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4100 0.2727 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1973 -0.9140 0.6227 S 0 0 0 0 0 6 0 0 0 0 0 0
1.3456 -2.1690 -0.2244 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4118 -1.2578 2.0747 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4021 -0.2795 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 -0.4471 -0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2902 0.0611 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9185 0.7323 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2811 0.8915 1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0226 0.3946 1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9144 -1.1533 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4045 0.6021 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.3194 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5422 -0.9752 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7976 -0.0571 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9291 1.1518 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7872 1.4295 1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5076 0.5154 2.3283 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