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
    4.4408    0.5010    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830    0.1142   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278   -0.6350    0.7877 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1645   -1.0935    0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477   -2.6538    0.1435 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2035    0.0296    0.5486 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7331   -0.7937    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886   -2.0203   -0.1028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917   -0.0399    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0921   -0.6809   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0386    1.4111    0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9944   -0.3813    0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9577    1.0604   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2389    1.2073    1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342    1.0490   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1829   -0.5013   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0719   -1.7246   -0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0260   -0.1589   -0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0302    1.6417    0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980    1.6961    1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982    1.9731   -0.5168 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