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
    3.6458    0.0498    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120    1.2325    0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7502    1.5382    0.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332    0.5570    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677    0.2165    1.7971 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -0.2047   -1.1503 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3352   -1.0600   -0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4556   -2.1556   -1.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615   -0.6869   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5139   -1.5369   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6077    0.5927    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9812   -0.4704   -0.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846    0.3459   -0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9862   -0.6857    0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106    1.0229    1.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    2.1376    0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3533   -1.2607    0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4501   -2.4365   -0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7019    0.4671    1.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635    0.9400    0.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9573    1.3971    0.2489 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