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
    3.0106    0.6212   -0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.5556    1.0168 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9715    1.5617    1.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802    0.9904    0.5285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -0.3007    0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1280   -0.9056    1.7326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5728   -0.9343    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9480   -2.1531    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2629   -0.1733   -0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512   -0.3585   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1722    0.8909   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189    1.3801   -0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921    1.5219    2.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1595    2.5946    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -2.6912    1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498   -2.6363   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2712    0.1836   -0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6315    0.6761   -1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174   -0.8228   -1.8815 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