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
    3.9417    0.8492    0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380   -0.0621    1.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316   -1.0372    0.5706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866   -0.7080   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262   -0.3515   -1.8213 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2687   -0.6685    0.3804 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417   -0.2142   -0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854    0.0325   -2.0692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437   -0.1345   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7289    0.1958   -1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070   -0.4215    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    0.3425   -0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    1.2173   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2716    1.7469    0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085   -0.5003    1.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5056    0.5706    1.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4269    0.4089   -2.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7595    0.2567   -1.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1014    0.3148    1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8198   -1.4111    0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4775   -0.4264    1.5756 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