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
3.4174 0.5979 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3681 -0.1377 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3171 -0.8783 -0.6253 S 0 0 0 0 0 6 0 0 0 0 0 0
1.4010 -2.3584 -0.5442 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 -0.4292 -1.9942 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3198 -0.3184 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0933 -1.0571 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3782 -0.6292 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9291 0.5107 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1275 1.2323 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8303 0.8300 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6205 0.7378 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0473 1.0419 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0949 -0.3268 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6774 -1.9591 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9848 -1.2170 1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9411 0.8362 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5258 2.1339 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1972 1.3907 -1.5300 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