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
    4.4370   -1.0806    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2308   -0.2407   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935   -0.3609    0.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1047    0.3472    0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0684    1.8961    1.2650 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548   -0.3805    0.0838 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904    0.7857    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4797    1.9398    0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0189    0.4771   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9537    1.3806   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3113   -0.8670   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693   -0.7918    1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399   -2.1621    0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2806   -0.8936   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103   -0.6076   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5556    0.8079   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7451    2.3560    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9404    1.1685   -0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4094   -1.1023   -0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716   -0.9900   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -1.6819   -0.3783 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