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
3.6260 0.4872 0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4137 -0.0398 0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3481 -0.1506 -0.6342 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7177 0.8901 -1.6642 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 -1.4967 -1.3056 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3314 -0.0580 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0420 1.1040 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3758 1.1254 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0447 -0.0532 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3417 -1.2483 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0093 -1.2419 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3187 0.5734 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9418 0.8490 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1254 -0.3942 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5283 2.0261 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9240 2.0672 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0973 -0.0689 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8746 -2.1655 0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4861 -2.2050 0.0619 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