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
    2.8478   -0.5860   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -0.4045   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457    1.0845    0.7114 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7558    1.4419    0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584    0.3092   -0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -1.0256    0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477   -1.6554   -0.4932 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827   -1.5167   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5498    0.1810    0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    1.8091    1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223    2.2933   -0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    0.5212   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584    0.2410   -1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0455   -0.9599    1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355   -1.7330   -0.0535 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