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
    4.1977    1.2438    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    0.4741    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764    0.0373   -0.9727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871   -0.6831   -1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1539   -2.1489   -1.6665 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567    0.0896   -0.3083 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775   -0.9758   -0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161   -2.0921   -1.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8677   -0.5356    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110   -1.3182   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9866    0.7970    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2745    1.8410    1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0363    0.5424    0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1222    1.8893   -0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498   -0.4502    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529    1.1517    0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8581   -0.9985    0.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170   -2.2741   -0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1054    0.9651    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9503    0.8869    1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9999    1.5581   -0.1185 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