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
3.0755 -0.1161 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8683 -0.1968 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9586 -0.2940 0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5383 -0.1701 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4595 -0.2433 2.1012 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3773 -0.0712 0.1358 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9130 -0.0429 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 1.2491 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9762 0.9626 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9729 -0.2433 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9481 -1.3298 -0.0378 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.1797 -2.2822 -0.8530 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8234 -1.9419 0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0567 0.3101 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3177 0.6353 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8324 -1.0539 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8921 -0.3577 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9560 -0.3163 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9300 -0.1101 1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5489 1.9869 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0604 1.6984 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3883 1.8337 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5863 0.7256 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4585 0.0025 -1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9807 -0.6345 -1.1674 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