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
4.0208 -0.1171 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2919 0.1503 -0.6322 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3584 0.5922 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0065 0.8136 0.5651 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7759 -0.1755 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2459 -1.2920 -0.2139 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1887 -0.0086 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9022 -0.9830 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7883 1.3237 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7119 0.2133 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1550 -1.2014 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2198 0.4438 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8088 1.4736 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4243 -0.2442 1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4328 -1.9350 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9313 -0.8318 -1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8879 1.3035 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5328 1.6092 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2986 2.0368 -0.7360 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