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

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
   -4.5891    0.5965   -0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665   -0.3250   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874    0.1287   -0.6771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0736   -0.4868   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427   -2.1065   -0.6983 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    0.4496   -0.2598 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8369   -0.6069   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6639   -1.8448   -0.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -0.0607    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1937   -0.8654    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425    1.3818    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1941    0.1937   -1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2027    1.5812   -0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2721    0.7625    0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3215   -0.4304    1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7515   -1.3489   -0.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -1.9269    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1727   -0.4579    0.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4086    1.6913    0.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7910    1.9070   -0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0475    1.7678    1.2419 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