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
   -2.7218   -0.0187    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    0.3740    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728   -0.5863   -0.5186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968   -0.3833   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -0.3268   -2.1707 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975   -0.2251    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0769   -0.0371    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525    0.6763   -0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8842   -1.0660   -0.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1392   -0.0302    1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    0.4326    1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    1.3649   -0.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230   -0.2604    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576   -0.0007   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7905    0.0868    1.0630 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