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
4.0409 -0.2694 -0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2748 -0.7479 -0.5061 S 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 0.4055 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1065 0.1669 0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8263 0.1859 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3570 0.4409 -1.3887 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2369 -0.0584 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -0.0201 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7786 -0.3532 1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0824 0.7759 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6121 -0.9355 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4002 -0.2052 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7148 1.4320 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9540 0.2983 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1169 -0.1940 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6449 0.1967 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8744 -0.2263 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4357 -1.3230 1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3473 0.4309 1.9767 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