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
   -3.2240    0.8746    0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -0.1607    1.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678   -0.5154    0.6250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673   -1.0574   -0.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -2.0359   -1.0972 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430   -0.7933   -1.7224 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6172   -0.0490   -1.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2307    0.6782   -2.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -0.0785    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735   -0.7820    1.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5022    0.7522    0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544    0.7571   -0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9554    1.9157    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3257    0.7161    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3587    0.2773    2.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029   -1.0450    1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771   -0.7932    2.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0316   -1.4350    1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    0.0291    0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498    1.1701    1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5657    1.5750   -0.3818 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