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
    4.1504    0.9529   -0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473    0.0486   -0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9896    0.6678    0.2764 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -0.0192    0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2044   -0.1900    1.9210 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067   -0.6578   -0.9814 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558   -1.1558   -0.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0468   -2.1872   -1.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6564   -0.4992   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8928   -1.0276   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890    0.7539    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6945    0.7929    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    0.7547   -1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7557    2.0028   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5282   -0.1508   -1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447   -0.9527   -0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0701   -1.9140   -0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6936   -0.6051    0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4357    1.3634    0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119    1.3524    0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    0.6699    1.7354 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