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
    3.1705   -0.3921   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7122    1.3345   -0.3924 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039    1.7505    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0761    1.2331    0.2755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -0.0363    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3824   -0.9625    0.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7678   -0.3051   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661    0.7045   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3201   -1.6593   -0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957   -0.5277   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686   -1.0851   -0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0259   -0.7073    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463    1.4523    1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    2.8807    0.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2243    1.7371   -0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5912    0.5621   -0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5673   -2.4354   -0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8774   -1.8617    0.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -1.6825   -1.1484 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