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
   -3.5396    0.0932    0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354   -0.8984   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -1.4108   -0.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7886   -0.4771   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162    0.1596   -1.5702 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880   -0.0761    1.4186 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481    0.7351    1.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6357    1.6848    2.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    0.4616    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.2610    0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430   -0.6553   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5834   -0.1459    0.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5189    1.1250    0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8463    0.0261    1.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8810   -1.7077   -0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0798   -0.4281   -1.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156    1.1359   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6580    2.0646    1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5324   -1.2079   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7893   -1.4147   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214   -0.3248   -1.6777 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