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
   -2.7130    0.2516    0.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4084   -0.2413    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    0.7944    0.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8045    0.4008   -0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8881   -0.8231   -1.5296 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0309    1.0561   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809    0.6522   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357    0.9299    1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2739    0.7885   -0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -0.6414    1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735   -1.0426    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5521   -0.7022   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.8717    0.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0924    1.1560   -0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -0.1520   -1.2408 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