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
3.2766 0.6755 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4598 -0.3649 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3677 -0.8730 0.5906 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7789 -0.3897 1.9553 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2822 -2.3869 0.6866 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2679 -0.3086 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7305 0.8976 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0274 1.3071 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9137 0.5370 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4574 -0.6713 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1633 -1.0837 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9398 0.9647 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2838 1.2559 0.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4717 -0.9293 -1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 1.5307 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 2.2709 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9237 0.8832 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1469 -1.2846 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7880 -2.0307 -0.7877 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