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
    4.6532   -0.5153   -0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5414    0.2934   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3576   -0.5090   -0.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -0.0001    0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    1.1812    1.3818 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -0.6256   -0.2981 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7422    0.2193    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780    1.1139    1.3637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1283   -0.0951    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3912   -1.0334   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2133    0.6153    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -0.9731   -0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2563    0.1117   -1.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639   -1.3568   -1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    0.6638    0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3227    1.1900   -0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6071   -1.5807   -1.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4284   -1.2626   -0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9360    1.6888    1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4599    0.1841    1.9381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1295    0.6904    0.2954 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