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
    3.0887    0.8574    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    0.4813    1.7569 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075   -0.8215    1.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0614   -0.5672    1.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887   -0.2851   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -0.2491   -1.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6436   -0.0335   -0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468    0.2286   -2.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8429   -0.0653    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721    1.6338   -0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1039    1.3089    0.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3530   -0.0300   -0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6353   -1.7510    1.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8303   -1.0614    2.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    0.4141   -2.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8788    0.2619   -2.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2466    0.9843    0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6815   -0.4616    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184   -0.6822   -0.4615 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