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
   -4.0792    0.3940   -0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -0.4318    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6952   -0.0453   -0.4251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    1.1871   -0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0264    2.5203   -0.3342 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6404    1.3274   -0.1009 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572   -0.3100   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5967   -1.3169   -0.2371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861   -0.5199    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2615   -1.7489    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    0.6679    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7936    0.8172   -1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9611   -0.2737   -0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812    1.1715    0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8489   -0.3696    1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914   -1.5028   -0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3182   -1.9471    0.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982   -2.5909   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7385    0.3750    0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585    1.1898    1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    1.4068   -0.6294 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