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
    2.8862    0.0360    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6034   -0.1233    0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6947   -1.4507   -0.6623 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943   -1.2804    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5630    0.0196   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9729    1.2289    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325    0.9162    1.1591 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4948   -0.6167   -0.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3681    0.8468    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8591   -1.2579    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512   -2.0930   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6735    0.0458   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857    0.0345   -1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    1.7474    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904    1.9468   -0.6129 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