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
   -2.2912    0.6817   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642   -0.6861   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3849   -0.7037    0.3398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062   -0.0103   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587    1.4394   -0.8926 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477   -0.5477    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246    0.0857   -0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3912    0.5398   -0.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9747    1.1988   -1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593    1.2447    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7291   -1.1656   -1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3157   -1.3234    0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -1.4954    0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9738    1.0513   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082   -0.3091   -0.2425 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