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
   -3.1918    0.8562    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6123   -0.5191   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6438   -1.0963   -1.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439   -1.2936   -0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9907   -2.6716    0.1880 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1182   -0.0544   -0.9412 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4689   -0.5442   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6068   -1.6382    0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6006    0.3449   -0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4488    1.4915   -1.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9107   -0.0939    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866    0.8648    1.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938    1.5165    0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093    1.2770   -0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952   -1.1626    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5886   -0.4759   -0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881    1.7793   -1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688    2.1671   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6543    0.7196    0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2602   -0.9214   -0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670   -0.5457    1.0976 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