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
3.1626 0.6219 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6746 -0.7177 1.2483 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3098 -1.6812 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0701 -1.0951 0.5524 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3629 -0.0205 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4085 0.6037 -0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7351 0.4460 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1753 1.4953 -0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6836 -0.2682 0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0695 0.3979 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5660 1.5252 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2611 0.8281 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5647 -1.9998 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3139 -2.6491 1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1669 1.8707 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4657 2.0110 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7285 -0.2065 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4580 -1.3481 0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6246 0.1865 1.8299 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