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
   -3.5096   -0.6068    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3286    0.8044    0.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5643    1.6070   -0.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    1.3310   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8082    1.8777   -2.0866 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1029    0.4383    0.3600 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600    0.2897   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627    0.8095   -1.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5936   -0.4047    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4980   -0.9512    1.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724   -0.5006   -0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8863   -1.2715    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5581   -0.9416    0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340   -0.6584   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3428    1.2535    0.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    0.7806    1.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323   -1.4642    1.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919   -0.9080    1.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395   -1.0347   -0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7238   -0.9994   -1.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719    0.5493   -0.8905 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