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
   -3.0512   -0.9203    0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5091    0.0852   -0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4824    0.4408   -1.6043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3148    1.0082   -1.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027    2.6279   -0.8634 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587   -0.0796   -0.7735 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495    0.8461   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    2.0914   -0.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6669    0.1477    0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7140    0.8415    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371   -1.3227    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540   -1.8576    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903   -0.5919    1.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9978   -1.2222    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8527    1.0057   -0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3609   -0.2804   -1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469    0.3640    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695    1.9138    0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900   -1.7294    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020   -1.5460   -1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847   -1.8222    0.2877 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