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
3.2140 0.6090 1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3980 0.5672 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4476 -0.8703 -0.3451 S 0 0 0 0 0 6 0 0 0 0 0 0
1.7114 -1.8861 0.7111 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8057 -1.4524 -1.6622 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2400 -0.4024 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9461 -0.4497 0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2730 -0.0910 1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9566 0.3414 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2565 0.3906 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 0.0314 -1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3305 -0.2121 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 1.5041 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2983 1.4019 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4009 -0.7927 1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8102 -0.1360 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0013 0.6387 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7880 0.7323 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3885 0.0759 -2.3271 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