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
3.2974 0.1823 -2.5336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5494 -0.0248 -1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1649 -0.3666 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0926 0.1373 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4332 0.4664 -2.2792 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3783 -0.0522 -0.0924 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9881 0.0696 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6880 -1.1328 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4168 -0.8692 1.8254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9153 0.5388 1.8507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 1.3606 1.2251 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.7601 2.6370 0.5587 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4695 1.4739 2.3472 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9784 1.0474 -2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9483 -0.6769 -2.8156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6015 0.4479 -3.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6577 -0.5308 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2363 -0.4911 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4341 0.3618 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3978 -1.5488 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9716 -1.9872 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 -1.5876 1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7100 -0.9965 2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1292 0.8530 2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7598 0.6887 1.1541 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