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
    4.5479    0.2435    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3140    0.2389   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3247   -0.5312   -0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953   -0.7035   -0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480   -1.4894   -2.0217 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544   -0.0711    0.1981 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7741   -0.4650   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341   -1.0939   -1.8761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0867   -0.0438   -0.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1336   -0.3398   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463    0.7064    0.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5528   -0.6699    0.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4236    0.3443   -0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661    1.1244    0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5252   -0.1932   -1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    1.2680   -0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9657   -0.8822   -2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1296   -0.0372   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3164    0.8062    1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    1.6936    0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7803    0.0950    1.7514 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