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
    3.0993    0.5541    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5058   -1.0910    0.7437 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3197   -1.6946   -0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781   -1.1369   -0.4885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3051    0.1260   -0.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813    0.9608   -1.0849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    0.5232   -0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0656    1.7624   -1.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7537   -0.4823   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    1.3108    0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    0.7687   -0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    0.6767    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581   -1.6865   -1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -2.8236   -0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    2.5293   -1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1077    2.0451   -1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1239   -1.0303   -1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2677   -1.2472    0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5876   -0.0647    0.1620 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