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
3.2570 0.4498 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3734 -0.4936 0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2553 -1.1006 -0.2654 S 0 0 0 0 0 6 0 0 0 0 0 0
1.0635 -2.5714 -0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8249 -0.9486 -1.6613 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3092 -0.3313 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2650 -0.8853 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4980 -0.2993 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8009 0.8476 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 1.4079 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6004 0.8150 -0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9184 0.7832 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3432 0.9071 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3481 -0.9040 1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0632 -1.7805 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2348 -0.7640 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7952 1.2812 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1160 2.3110 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1366 1.2759 -1.4835 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