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
    3.6354    0.4268   -0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732   -0.9479   -0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0422   -1.1532    0.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9111   -0.3564    0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5166    0.3782   -1.1537 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0920   -0.1075    1.6848 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466    0.5784    1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730    1.5940    1.8616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4432    0.0673    0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1409   -1.0039   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6999    0.8284   -0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0482    1.0719    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6878    0.4342   -0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6585    0.9325   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7218   -1.1781   -1.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8546   -1.7308   -0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2777   -1.6101   -0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7944   -1.3173   -1.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0371    0.5292   -1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4472    0.6385    0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973    1.9257   -0.2186 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