Monomers
Methacryloxysulfolane
Identifiers
IUPAC name
(1,1-dioxothiolan-2-yl) 2-methylprop-2-enoate
InchI
InChI=1S/C8H12O4S/c1-6(2)8(9)12-7-4-3-5-13(7,10)11/h7H,1,3-5H2,2H3
InchI Key
WPTHNYUICULUIA-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OC1CCCS1(=O)=O
Canonical SMILES
CC(=C)C(=O)OC1CCCS1(=O)=O
Isomeric SMILES
CC(=C)C(=O)OC1CCCS1(=O)=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H12O4S
Heavy Atom Count
13
Molecular Weight
204.247
Exact Molecular Weight
204.0456
Valence Electrons
74
Radical Electrons
0
tPSA
60.44
MolLogP
0.6404
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
25 25 0 0 0 0 0 0 0 0999 V2000
-4.0879 0.6370 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8799 -0.1656 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9882 -1.4591 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5639 0.4481 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4626 1.6596 0.3851 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4033 -0.2462 -0.1662 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8476 0.3656 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8328 -0.3051 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1757 0.2601 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3136 -0.3584 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7144 0.1136 -1.7273 S 0 0 0 0 0 6 0 0 0 0 0 0
1.1116 -0.9934 -2.5067 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8094 1.3996 -2.4624 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0152 0.1688 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1552 0.8909 1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0147 1.6171 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9450 -1.9157 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1301 -2.0438 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8481 1.4297 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6235 -0.0681 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8915 -1.4021 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0174 1.3552 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9868 -0.0044 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3346 -1.4587 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1391 0.0752 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 2 0
11 7 1 0
1 14 1 0
1 15 1 0
1 16 1 0
3 17 1 0
3 18 1 0
7 19 1 0
8 20 1 0
8 21 1 0
9 22 1 0
9 23 1 0
10 24 1 0
10 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers