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
   -4.1483    0.8663   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    0.4645   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672    1.2216   -0.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848    0.9335   -0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4651    2.2074   -0.5549 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147   -0.7074   -1.2332 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775   -1.1296   -0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979   -1.8244   -1.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3136   -0.7315    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -0.0868    1.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -1.0834    0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1998    1.9845   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6773    0.4770    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6109    0.4016   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163    0.5702    0.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6234   -0.5938   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948    0.1795    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    0.1759    2.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151   -1.9021    1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354   -1.2839   -0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2530   -0.1393    0.9629 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