Monomers

O-ethyl prop-2-enethioate

Identifiers

IUPAC name
O-ethyl prop-2-enethioate
InchI
InChI=1S/C5H8OS/c1-3-5(7)6-4-2/h3H,1,4H2,2H3
InchI Key
LGCXBAQILOJLNI-UHFFFAOYSA-N
SMILES
CCOC(=S)C=C
Canonical SMILES
CCOC(=S)C=C
Isomeric SMILES
CCOC(=S)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8OS
Heavy Atom Count
7
Molecular Weight
116.185
Exact Molecular Weight
116.0296
Valence Electrons
40
Radical Electrons
0
tPSA
9.23
MolLogP
1.5363
H Bond Acceptors
2
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

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.0846    0.9254   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7114   -0.5309   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5313   -0.7673   -0.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -0.0823   -0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6885    1.5369   -0.4366 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531   -0.8449   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9929   -0.2371   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6699    1.5458    0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892    1.0099   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139    1.3218   -1.2617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -1.2115   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5454   -0.7768    0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783   -1.9297   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    0.8307   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008   -0.7899    0.0707 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  2  3
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers