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
3.9217 0.3334 -0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1226 0.3462 -1.0780 S 0 0 0 0 0 0 0 0 0 0 0 0
1.4260 -0.7413 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0379 -0.8124 0.1503 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7418 0.3219 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1035 1.4011 0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1975 0.2847 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9099 1.3789 0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8738 -1.0133 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2778 -0.4639 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2426 1.3051 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4567 0.2496 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8433 -0.4347 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8423 -1.7651 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9882 1.3365 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4229 2.3223 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9491 -0.9922 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3179 -1.7666 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6663 -1.2902 -1.0019 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