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
    3.4495    0.4366    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157   -0.8946   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727   -1.1434   -1.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257   -1.1928   -0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -2.2553    0.7366 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.0432   -1.0294 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267   -0.2917   -0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5710   -1.1776    0.7742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6662    0.5578   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5858    1.4792   -1.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9139    0.3344    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256    0.5859    1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    0.6102    0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7136    1.2168   -0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627   -1.7326    0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134   -0.9452   -0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4559    2.0802   -1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681    1.6104   -1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    0.3746    1.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6977    1.0653    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3265   -0.6751    0.0878 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