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
-3.5499 -0.4437 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3041 -0.2927 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3129 0.8996 -0.1231 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.9285 1.3006 1.2059 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3663 2.1469 -0.9871 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3242 0.3627 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3232 0.5742 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6169 0.1400 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9746 -0.5264 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9927 -0.7426 1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7021 -0.3056 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9801 0.1559 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1774 -1.2029 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8920 -0.8911 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0150 1.1043 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3506 0.3389 -1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0005 -0.8586 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2807 -1.2725 2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0693 -0.4872 2.0180 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