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
3.3596 -0.6953 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5394 0.2089 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2196 0.9233 -0.7214 S 0 0 0 0 0 6 0 0 0 0 0 0
1.2444 2.4004 -0.4459 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 0.7514 -2.2116 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3268 0.3157 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0088 0.9414 0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 0.5316 1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8773 -0.5414 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2034 -1.1684 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9541 -0.7514 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1465 -1.0747 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2617 -1.0723 -1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6776 0.5576 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5704 1.7872 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7534 1.0509 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8542 -0.8958 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6326 -2.0138 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4521 -1.2553 -1.6834 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