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
3.4560 0.2039 -0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3972 -0.5483 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2977 -0.3476 1.0058 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7944 0.7916 1.8454 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4039 -1.5910 1.8593 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3285 -0.0907 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2006 -1.1382 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4919 -0.9283 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9557 0.3475 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0896 1.3995 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8002 1.1831 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6745 0.9754 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1214 0.0670 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1888 -1.3174 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8194 -2.1509 0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 -1.7899 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9658 0.5049 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4324 2.4261 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0977 2.0031 0.3642 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