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
   -2.3286   -0.7320   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340    0.4580   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0871   -0.0051   -0.1746 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912    0.8290   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856    2.2859   -1.0215 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957    0.4143    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298   -0.7676    0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362   -0.8753   -0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7530   -1.6853    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8694   -0.5982    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5456    0.8962   -1.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5599    1.2401    0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    1.0717    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5784   -1.4253    0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063   -1.1064    1.0697 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