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
3.2449 -0.6725 0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5351 0.3719 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2749 0.2096 -1.1710 S 0 0 0 0 0 6 0 0 0 0 0 0
1.3566 1.3156 -2.1680 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5421 -1.0794 -1.9338 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3171 0.1297 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8904 -1.0704 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1443 -1.1343 0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8435 0.0129 0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3110 1.2373 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0539 1.2762 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0215 -1.6367 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0232 -0.5841 1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7615 1.3393 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3660 -1.9907 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 -2.0867 0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8065 -0.0116 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8497 2.1611 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5973 2.2127 -0.4835 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