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
   -3.7861   -0.5497   -0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707    0.7509   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7015    0.6690   -0.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9217    1.8047   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6154    3.2772   -0.5147 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521    1.6493   -0.2443 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845   -0.0393    0.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010   -0.9052    0.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6688   -0.4364    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115    0.4747   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972   -1.8464    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8434   -0.7989    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2805   -1.3259   -0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8108   -0.4313   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5009    1.5621    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479    1.0079   -1.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3356    1.5095   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6743    0.2200    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050   -2.5719    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9455   -2.0305   -0.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033   -1.9899    1.3459 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