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
   -3.8554   -0.0455   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311   -1.2064    0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6116   -0.6896    0.2744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3281    0.3053    1.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607    0.9399    2.1912 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3399    0.9080    1.2864 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626    0.0535    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168   -0.8338   -0.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545    0.4111    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2298    1.3425    0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6263   -0.2796   -0.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4519   -0.2795   -0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3367    0.8954   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5632    0.1272    0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9983   -2.0009   -0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1259   -1.5803    1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    1.6089    0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6301    1.8712    1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9011   -1.2631   -0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    0.2703   -1.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -0.5545   -1.8799 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