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
    3.8397    0.0114   -0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1702    0.0814    0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7518    0.1563    0.4587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158    0.2254    1.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615    0.3756    3.1163 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601    0.1448    1.5007 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783   -0.0179   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910   -0.0574   -1.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6922   -0.1009   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739   -0.2213   -1.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6960   -0.0497    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3166    0.6876   -1.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472   -1.0217   -1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9132    0.2594   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3770   -0.8200    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4932    1.0070    1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1223   -0.2841   -2.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3564   -0.2605   -2.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1770   -1.0472    0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2266    0.2700    1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5123    0.6619    0.2747 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