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
   -2.7633   -0.0854   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631   -0.1757    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800    0.3674   -0.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726    0.3057    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788    0.4743    1.7623 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0934    0.0946   -0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547    0.0370   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2343   -1.0971   -0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7450    0.4886   -1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4809    0.4570    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2377   -1.2401    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4652    0.3692    1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240   -0.0152   -1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1603   -0.1231   -0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    0.1428    1.0581 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