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
    2.8535   -0.7303    0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950    0.6686   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3128    1.6160    0.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9321    1.4797    0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1393    1.4198    2.0020 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954    1.3874   -0.9496 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536    0.8061   -0.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756    1.4830   -1.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0678   -0.3096   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341   -1.0897    0.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498   -0.5833   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5157   -1.3698   -0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7664   -1.1189    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660   -0.7065    1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755    0.7501   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1560    0.9445   -0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786   -0.9481    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7733   -1.9032    1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514   -0.2557   -1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7876   -1.6141    0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0358    0.0738    0.5325 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