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
3.1713 0.2821 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3057 -0.7054 0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2281 -1.0422 -0.6351 S 0 0 0 0 0 6 0 0 0 0 0 0
1.0459 -2.5383 -0.7284 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8185 -0.5578 -1.9318 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3023 -0.3043 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2833 -0.9966 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4892 -0.3730 0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7252 0.9227 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7480 1.6073 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5401 0.9918 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 0.9445 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8055 0.4420 1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2387 -1.3493 1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1236 -2.0303 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2611 -0.9333 1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6812 1.4289 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9492 2.6406 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2237 1.5707 -1.2323 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