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
3.1609 0.9281 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 -0.2121 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3819 -0.6273 0.8524 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7066 0.0853 2.1269 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5749 -2.1117 1.1301 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2726 -0.2996 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0142 -1.2817 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3276 -1.0174 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9005 0.2214 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1493 1.1922 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8201 0.9336 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8668 1.2351 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0540 1.5972 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -0.8604 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6276 -2.2618 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9039 -1.7716 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9451 0.3661 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6079 2.1473 0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2805 1.7372 1.1722 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