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
3.0415 0.5651 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5164 0.1817 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3336 -1.1024 -0.4309 S 0 0 0 0 0 6 0 0 0 0 0 0
1.3706 -1.6916 -1.8132 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6787 -2.1681 0.5667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 -0.4515 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8689 -0.3792 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1306 0.1570 1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8288 0.6396 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2176 0.5726 -1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9547 0.0354 -1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 0.1299 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7672 1.3669 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 0.6709 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3506 -0.7479 1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6281 0.2150 2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8365 1.0633 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7719 0.9534 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4813 -0.0101 -2.2594 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