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
    4.4034    1.1494    0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    0.4864   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2338    0.2083    0.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1733   -0.4052   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4335   -1.6040   -1.2180 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761    0.1254    0.1956 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673   -0.8229   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2939   -1.7427   -1.5244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0801   -0.5399   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9577   -1.2421   -1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4854    0.5386    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2285    0.4182    0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9448    1.5111    1.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    2.0455   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0862    1.1366   -1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378   -0.4761   -0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6056   -2.0127   -1.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0239   -1.0603   -1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4452    0.1941    0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312    0.5822    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241    1.5102   -0.1565 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