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
   -4.0495    0.2496    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -1.0967   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814   -0.9265   -0.8423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -0.4254   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596    0.1858    1.3726 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3957   -0.4815   -0.8019 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582    0.2152    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1513    0.6532    1.4501 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9647    0.2710   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807   -0.1883   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223    0.8592    0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034    0.2936    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0514    0.4087   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4256    1.0911   -0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4874   -1.8210    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2345   -1.5440   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985   -0.6209   -1.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180   -0.1555   -1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7679    0.4390    1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9823    0.6393    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450    1.9540    0.9992 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