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
3.2929 1.0578 -0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3106 0.1774 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 -0.3671 0.4877 S 0 0 0 0 0 6 0 0 0 0 0 0
2.0315 0.4351 1.6375 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8795 -1.8354 0.6373 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2157 -0.2589 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9511 -1.3262 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -1.2672 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0353 -0.1394 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3013 0.9261 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9187 0.8669 0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6166 1.4476 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7988 1.4158 -1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9616 -0.2332 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3996 -2.2165 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9099 -2.1127 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1195 -0.0870 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8680 1.8081 0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3653 1.7088 1.1286 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