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
    3.6548    0.5356    0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -1.0490    0.0735 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547   -0.9350   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4420   -0.4030   -0.0407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288   -0.2173   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0052   -0.5378   -1.7636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325    0.3214    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7171    0.6457    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496    0.4991   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0874    1.0325    1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6728    0.3244    0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8326    1.2224   -0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777   -0.3715   -1.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900   -1.9886   -1.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7538    0.5235    1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169    1.0553    2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1582    0.7383   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8071    1.3656    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9083   -0.3742   -0.3199 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