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
   -3.6544   -1.0244   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1658    0.3527   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7776    0.4674   -0.1531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662    1.6794    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9867    3.0527    0.3300 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999    1.6964    0.2740 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.0804    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288   -0.8742   -0.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7469   -0.0643    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    0.9714    0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265   -1.4034   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065   -1.7463    0.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5798   -1.2666   -1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6792   -1.1249    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4141    0.5365    1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6766    1.1336   -0.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    0.8675    0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331    1.9680    0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627   -2.1883    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1753   -1.6212    0.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074   -1.4923   -1.1858 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