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
3.8803 0.4801 -1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7855 -0.2389 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0199 -1.4199 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4816 0.4351 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 1.5819 -1.1923 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4108 -0.1420 -0.0663 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8524 0.4261 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2705 0.3562 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7572 0.5721 1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3947 -0.3778 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1428 -0.5849 -0.6384 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.7689 -2.0164 -0.6582 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5828 -0.0502 -1.9439 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5860 0.6244 -2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0186 1.4875 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8388 -0.0480 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2379 -1.9479 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9750 -1.9018 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9647 1.4251 -0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8039 1.1775 2.1309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9758 -0.6513 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9623 1.6318 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.3454 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7004 -1.3331 1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2577 0.1690 0.1497 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