Monomers
Methacrylic acid methylthiomethyl ester
Identifiers
IUPAC name
methylsulfanylmethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H10O2S/c1-5(2)6(7)8-4-9-3/h1,4H2,2-3H3
InchI Key
AHJQXEBSKMYLKC-UHFFFAOYSA-N
SMILES
CSCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCSC
Isomeric SMILES
CC(=C)C(=O)OCSC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2S
Heavy Atom Count
9
Molecular Weight
146.211
Exact Molecular Weight
146.0402
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.4262
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
19 18 0 0 0 0 0 0 0 0999 V2000
3.0106 0.6212 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4560 0.5556 1.0168 S 0 0 0 0 0 0 0 0 0 0 0 0
0.9715 1.5617 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0802 0.9904 0.5285 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4848 -0.3007 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1280 -0.9056 1.7326 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5728 -0.9343 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9480 -2.1531 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 -0.1733 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4512 -0.3585 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 0.8909 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 1.3801 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6921 1.5219 2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1595 2.5946 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4414 -2.6912 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7498 -2.6363 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2712 0.1836 -0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6315 0.6761 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4174 -0.8228 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
7 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
3 13 1 0
3 14 1 0
8 15 1 0
8 16 1 0
9 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers