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
   -2.9792    1.2933   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5029   -0.0993   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902   -0.9858    0.5598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350   -1.2087    0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -2.6091    1.2982 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3258   -0.0419    0.1096 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002   -0.7142    0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4311   -1.8547    0.9362 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5174    0.0014    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    1.1953   -0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219   -0.6037    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    1.3171    1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7485    2.0680   -0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1428    1.5163   -0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3122   -0.3448   -1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6035   -0.0461   -0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4541    1.6304   -0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    1.7516   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6327   -0.1797   -0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1047   -0.3894    1.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7616   -1.6962    0.1551 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