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
    3.1315    0.4917    1.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    0.3326   -0.6809 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416   -1.1797   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -1.0765   -0.0815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5825   -0.0688   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2987    0.7306   -1.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7987    0.0756    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -0.7455    1.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7240    1.1780    0.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9145   -0.4593    1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5947    1.2955    1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345    0.7035    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1166   -2.0505   -0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3352   -1.3585   -1.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9963   -0.6824    2.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4258   -1.5506    1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6828    1.1278    0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1792    2.1444    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9541    1.0921   -0.9623 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