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
3.6156 0.4887 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3712 0.0749 0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3582 0.0361 -0.7031 S 0 0 0 0 0 6 0 0 0 0 0 0
1.8133 -1.1664 -1.5206 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6705 1.2594 -1.5103 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3287 -0.0811 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0731 1.0609 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4312 0.9962 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0379 -0.2320 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3208 -1.3731 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9575 -1.2949 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2952 0.5318 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0741 0.8205 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 -0.2408 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6469 2.0394 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0353 1.8715 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1087 -0.2624 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8242 -2.3228 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4023 -2.2059 -0.2978 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