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
3.6913 -0.0514 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4044 -0.2562 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 0.2340 -0.8178 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5042 -0.6356 -2.0341 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5507 1.6483 -1.2379 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3506 0.0830 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9976 1.1369 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 1.0579 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0403 -0.0903 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4046 -1.1568 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0838 -1.0762 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1323 0.4053 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4189 -0.3361 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0527 -0.7142 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4284 2.0615 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8259 1.8894 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0749 -0.2013 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9782 -2.0838 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5782 -1.9146 -0.9940 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