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
4.0671 -0.2893 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8374 -0.0931 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9268 0.1550 1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 -0.1725 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4372 -0.4087 -1.9454 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3597 0.0039 -0.0124 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9151 -0.0680 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7067 -1.1026 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1456 -0.6647 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1554 0.7336 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7927 1.4341 -0.2010 S 0 0 0 0 0 6 0 0 0 0 0 0
-0.9702 2.3481 0.6451 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3580 2.0843 -1.4096 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4273 0.6935 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8628 -0.7840 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7763 -0.8890 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9002 0.2132 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0459 0.3035 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8987 -0.2782 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3992 -1.1651 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6047 -2.0557 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4431 -0.5829 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7330 -1.3801 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0979 1.2566 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9440 0.7081 1.8087 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