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
    3.6724   -0.7539   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    0.4382   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582    0.6984    0.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220    1.7016    0.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6864    3.1876    1.3461 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171    1.4863    0.7871 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0858   -0.1616    0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2173   -1.0417    0.2252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785   -0.5176    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8820   -1.7326   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487    0.5293    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786   -1.2185   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0677   -1.4458    0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325   -0.4171    0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    0.0888   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455    1.2999   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350   -2.4891   -0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9102   -1.9466   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1354    0.2000    1.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0825    1.5225    0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    0.5719   -0.5445 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