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
Resources
cid=

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
   -4.0417   -0.0623   -0.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3046    0.4414   -0.7236 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911    0.0524    0.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1404    0.4140    0.8162 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060   -0.0617   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -0.9085   -0.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670    0.4122    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892    1.2935    0.9617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1801   -0.1071   -0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5982    0.8092   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4308   -0.3079   -1.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796   -0.9304    0.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700   -1.0126    1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618    0.6211    1.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7355    1.6774    1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5256    1.6456    1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821   -1.1226   -0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1101    0.4912   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779   -0.2894   -1.9131 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