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
   -1.8630    0.5464    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6493   -0.9485   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4221   -1.0976   -0.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066   -0.5907   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8926   -0.9837    1.5483 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    0.2403   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7103    0.6895   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2090    0.9444    0.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485    0.6474    0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522    1.1097   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168   -1.4082    0.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969   -1.4144   -0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460    0.4905   -1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4491    1.3150   -0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795    0.4599    1.0023 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