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
3.0063 1.5173 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9232 0.0855 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0261 -0.6002 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6312 -0.5522 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 -1.7665 0.4353 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4311 0.1602 -0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7728 -0.5338 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6357 0.1121 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0667 -0.2029 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2740 0.2820 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8226 -0.4779 -1.2684 S 0 0 0 0 0 6 0 0 0 0 0 0
-2.1679 -1.8607 -1.7234 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2478 0.3735 -2.3300 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5663 2.0640 0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0026 1.9495 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5563 1.6489 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0080 -1.6367 0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9716 -0.1240 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6032 -1.5985 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3848 -0.3320 2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4838 1.2020 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 0.3500 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2035 -1.2935 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1494 1.3606 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1999 -0.1266 -0.9469 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