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
   -4.6419   -0.4832   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3493    0.2501   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4187   -0.0533    0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    0.5383    0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389    2.1420    0.6568 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2404   -0.4780    0.2006 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401    0.4465    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947    1.6970    0.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9987   -0.2556   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0211   -1.5664   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2772    0.5217   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4478    0.0049   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5350   -1.5263   -0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8408   -0.4178    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106    0.0147   -1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5006    1.3559   -0.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9567   -2.0688   -0.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959   -2.1211   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1644    1.5371    0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    0.0017    0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    0.4604   -1.2322 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