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
3.4437 -0.6826 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4140 0.1221 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4066 0.1692 -0.7933 S 0 0 0 0 0 6 0 0 0 0 0 0
1.6765 1.4487 -1.5428 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7353 -1.0057 -1.6605 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2923 0.1015 -0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9867 -1.0806 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3281 -1.0728 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9924 0.1100 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3160 1.3058 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9753 1.2655 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0458 -0.6931 1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6843 -1.3443 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1868 0.7821 1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4507 -2.0040 -0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8894 -1.9901 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0553 0.1324 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8515 2.2251 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4554 2.2108 -0.2619 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