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
4.0674 -0.3594 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.3689 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8306 -0.6908 -1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5711 -0.0217 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5653 0.2810 1.7825 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3449 -0.0093 -0.0878 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8720 0.3264 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5436 1.4114 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0324 1.2345 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2445 -0.1626 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0094 -1.0442 0.2956 S 0 0 0 0 0 6 0 0 0 0 0 0
-1.3865 -2.1421 -0.4737 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6005 -1.4953 1.6026 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9424 -0.6751 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 0.6360 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0205 -1.0853 1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7657 -0.9436 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -0.6877 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7686 0.5748 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3172 1.3347 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2384 2.3833 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3447 1.2371 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5305 2.0044 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9002 -0.1175 -1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2443 -0.5429 -0.5090 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