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
3.6486 -0.4342 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3498 -0.6585 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3083 0.2312 -0.6527 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7271 1.6646 -0.6359 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 -0.2683 -2.0855 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 0.1441 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2233 -0.8349 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5265 -0.8289 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9852 0.1409 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1365 1.1185 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8402 1.1053 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 0.2927 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3146 -0.9860 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 -1.3931 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8403 -1.5709 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2190 -1.5929 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0094 0.0987 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 1.8782 1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1715 1.8935 1.0660 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