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
    3.3105   -0.9666    0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247    0.4235    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8878    0.2939   -0.9210 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589    1.2769   -1.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8122    2.3791   -2.5332 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895    1.3981   -1.2060 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0553    0.0980   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.7308    0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.0303    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3590    0.8069   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8598   -1.1030    1.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137   -1.6347    0.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986   -0.9124    1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -1.3598   -0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5697    1.1024    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    0.7029    1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3798    0.7095    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190    1.6174   -0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187   -1.9542    0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6013   -0.6669    2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0119   -1.4501    1.9167 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