Monomers

(Methacryloylthio)thioformic acid O-ethyl ester

Identifiers

IUPAC name
O-ethyl 2-methylprop-2-enoylsulfanylmethanethioate
InchI
InChI=1S/C7H10O2S2/c1-4-9-7(10)11-6(8)5(2)3/h2,4H2,1,3H3
InchI Key
ORGODPPLMFMXRB-UHFFFAOYSA-N
SMILES
CCOC(=S)SC(=O)C(=C)C
Canonical SMILES
CCOC(=S)SC(=O)C(=C)C
Isomeric SMILES
CCOC(=S)SC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2S2
Heavy Atom Count
11
Molecular Weight
190.289
Exact Molecular Weight
190.0122
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.1437
H Bond Acceptors
4
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.9775   -0.1669    0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5889    0.9903    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227    1.3093    0.1764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2436    0.3763   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6605   -1.0922   -0.6730 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464    0.7954    0.1814 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579   -0.5390   -0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   -1.5945   -0.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994   -0.4108   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7815   -1.4197   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224    0.8358    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449   -0.3824    1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9911   -0.0131    1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543   -1.0728    0.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7816    0.7450   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2208    1.8744    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3780   -2.3649   -0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8565   -1.3897   -0.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9794    1.2627    1.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270    1.6073   -0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6127    0.6494    0.8930 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers