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
   -2.3921   -0.5205    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3476    0.2577   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219    0.2522    0.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928    0.9069   -0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    2.3642   -0.9103 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230    0.3262   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501   -0.8528    0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469    0.2224    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652   -1.0758   -0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930   -1.1839    1.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371   -0.1954   -1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    1.3251   -0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    0.8511   -0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5989   -1.3940    0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4204   -1.2833    0.5909 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