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
    3.5760   -0.6167    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881   -0.3841   -0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6141    0.8504   -1.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4098    1.1280   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    2.4397    0.4449 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260    0.0536   -0.7335 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3955    0.6536    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601    1.7236    0.8302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6668   -0.0558    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8098   -1.1668   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8334    0.4619    0.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4350   -1.3190    0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108    0.3847    0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6407   -1.0390    0.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7155   -1.2302   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2522   -0.2746   -1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356   -1.7194   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -1.6015   -1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7401    0.5067    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0111   -0.2418    1.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5874    1.4465    1.3058 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