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
3.6705 -0.1554 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3743 -0.0843 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3157 0.5917 0.6345 S 0 0 0 0 0 6 0 0 0 0 0 0
1.4392 2.1061 0.5414 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8135 0.2150 1.9935 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3499 0.1624 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1237 0.9980 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4531 0.7203 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0281 -0.4180 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2763 -1.2547 0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 -0.9597 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3618 -0.5731 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0671 0.1970 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9979 -0.4506 -1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6836 1.9027 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0631 1.3858 -1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0744 -0.6164 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7040 -2.1537 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3422 -1.6130 1.5400 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