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
-3.9582 -0.3195 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8933 -0.3086 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1768 -0.4958 1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5001 -0.0898 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2130 0.0896 -1.7559 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 -0.0667 0.3624 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8474 0.1437 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5223 1.3035 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 1.1593 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3904 -0.2412 0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9394 -1.1986 0.3658 S 0 0 0 0 0 6 0 0 0 0 0 0
2.2087 -2.0798 -0.7993 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5204 -1.9583 1.5747 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8792 -0.8085 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5950 -0.9950 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2391 0.6766 -1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3889 -0.4827 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1981 -0.6625 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8889 0.2803 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2419 1.4339 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1972 2.2250 0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3790 1.5158 -0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4794 1.8266 1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2068 -0.5267 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6959 -0.4204 1.8510 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