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
    4.5185   -0.8729    0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062    0.1577    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303   -0.4464    0.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    0.2668   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706    1.7232   -0.9723 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888   -0.4681    0.0658 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570    0.6233   -0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599    1.7112   -1.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1473    0.2622   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1141    1.0761   -0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -1.0399    0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3663   -0.3754    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858   -1.5892    1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433   -1.4239   -0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154    1.0178    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033    0.5607   -0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8329    2.0112   -1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1479    0.8233   -0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3536   -0.8601    0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6913   -1.7524   -0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6575   -1.4052    0.9108 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