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
3.2157 -0.0876 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9093 0.2358 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8830 0.4789 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4945 0.2670 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1701 0.5387 -2.0941 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4871 0.0112 -0.0147 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8729 0.0108 -0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5698 -1.2862 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 -0.8958 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2216 0.1364 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7747 1.1579 0.7751 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.0321 1.4644 2.0235 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1505 2.3866 0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5030 -0.8208 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1131 0.8667 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2438 -0.4959 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7383 0.7222 -2.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9093 0.4458 -0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 0.2499 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3568 -2.0829 -0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3848 -1.6065 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7119 -1.7546 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1634 -0.3419 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1237 0.7421 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1725 -0.3424 2.0762 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