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
   -3.6103    0.9787   -0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -0.4338   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8047   -0.3648    0.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110   -1.5033    0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -2.8679    0.9266 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608   -1.4708    0.4496 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408    0.1377   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    1.0835   -0.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746    0.3818   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140    1.5667   -0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314   -0.7432    0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8571    1.0975   -1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8314    1.7317   -0.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4992    1.1880    0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8067   -0.9340    0.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1671   -1.0227   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1599    1.8115   -0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011    2.3426   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049   -0.8114    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555   -1.6723   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777   -0.4954   -0.3188 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