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
3.4339 -0.5470 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3928 0.2351 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2825 0.0485 -1.0954 S 0 0 0 0 0 6 0 0 0 0 0 0
1.5925 -1.2702 -1.7324 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4947 1.1934 -2.0363 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3329 0.0564 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9695 -1.0994 -0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 -1.0694 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9237 0.1297 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2757 1.2764 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9875 1.2479 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0756 -0.3825 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6108 -1.3274 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1572 1.0418 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4036 -2.0198 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6929 -2.0266 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9287 0.1414 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7905 2.2060 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4889 2.1657 -0.6092 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