Monomers

2-Methylene-1,3-dithiane

Identifiers

IUPAC name
2-methylidene-1,3-dithiane
InchI
InChI=1S/C5H8S2/c1-5-6-3-2-4-7-5/h1-4H2
InchI Key
KMGDTZJDQRIOMR-UHFFFAOYSA-N
SMILES
C=C1SCCCS1
Canonical SMILES
C=C1SCCCS1
Isomeric SMILES
C=C1SCCCS1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8S2
Heavy Atom Count
7
Molecular Weight
132.253
Exact Molecular Weight
132.0067
Valence Electrons
40
Radical Electrons
0
tPSA
0.0
MolLogP
2.3277
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.8977    0.1753   -0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6106    0.0082   -0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320   -1.1790    0.8204 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7518   -0.6416    1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -0.4200   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087    0.8676   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4791    0.9477   -1.3073 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -0.3995    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    0.8965   -1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704    0.2072    1.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312   -1.5107    1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -0.3694    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3494   -1.2769   -0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106    0.9530   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    1.7415   -0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers