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
-4.0613 0.9570 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8770 0.1554 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0608 -0.9271 0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5475 0.5751 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3767 1.6052 -0.8646 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4182 -0.1487 0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 0.2669 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8048 0.4814 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1944 0.3929 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2848 -0.9906 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6901 -1.0726 -1.1017 S 0 0 0 0 0 6 0 0 0 0 0 0
1.8852 -0.7698 -2.5395 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 -2.3815 -0.8468 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9456 0.6997 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8452 2.0490 -0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3087 0.7045 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0353 -1.2477 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1988 -1.5078 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8308 1.1836 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6690 1.4605 1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7158 -0.3682 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3683 1.1793 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9051 0.4898 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3467 -1.7490 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1074 -1.0373 -1.0183 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