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
    4.1991    0.8097   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436   -0.5785    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322   -0.7162   -0.7082 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2777   -0.0148   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    1.5399    0.0831 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -0.8746   -0.5622 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443    0.1795   -0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3705    1.3696    0.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0230   -0.2989   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -1.5464   -0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1530    0.5851    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2893    0.7387    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    1.4998    0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    1.2199   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3852   -1.2572   -0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686   -0.9662    1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4262   -2.2128   -0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2312   -1.9104   -0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9983    0.4697   -0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8329    1.6348    0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5308    0.3292    1.2076 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