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
3.0861 -1.5114 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9438 -0.0553 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0190 0.7068 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6097 0.4966 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5070 1.7593 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4584 -0.2768 0.0131 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7627 0.3764 -0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6008 -0.2402 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9384 0.4383 -1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4223 0.0344 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8758 0.0814 1.2277 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.8750 1.2205 2.1847 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6456 -1.2396 1.8577 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4794 -1.6947 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8888 -1.8502 -0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1697 -2.0732 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9403 1.7764 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0172 0.3073 0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6790 1.4623 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 -1.3126 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2284 0.0344 -2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6615 0.1819 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7505 1.5299 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1054 0.8022 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8774 -0.9541 0.3372 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