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
    2.8941    0.8993   -1.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677   -0.0738    0.4453 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934   -1.4067    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891   -1.0032    0.4977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3840   -0.2733   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    0.1284   -1.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7918    0.0516   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3401   -0.3711    1.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016    0.8499   -1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    0.2470   -1.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    1.7558   -1.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9597    1.3285   -1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853   -2.0006    1.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018   -2.1311   -0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3674   -0.1631    1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -0.9544    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124    1.2825   -1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1749    1.6522   -0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.1822   -1.4727 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