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
-3.3305 0.6528 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7839 -0.4948 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5752 -1.2584 -1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3443 -0.7908 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8746 -1.7719 -1.3947 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4523 -0.0246 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9177 -0.3316 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4593 -0.5188 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8726 -0.0457 1.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9618 1.2787 0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9097 0.9709 -0.7173 S 0 0 0 0 0 6 0 0 0 0 0 0
2.7537 0.4655 -1.8636 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1185 2.1650 -1.0847 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1749 0.3741 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6727 1.4679 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5479 1.0944 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2249 -2.1232 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6384 -1.0703 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0884 -1.2317 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4776 -1.6254 1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8353 -0.0784 2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1609 0.0789 2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5790 -0.7428 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5028 2.1101 1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9825 1.4501 0.3541 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