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
    2.9139   -0.0556    0.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6402   -0.0052    0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968    1.4938   -0.2652 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9148    1.2656    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5475    0.0338   -0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -1.2247    0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899   -1.5024    0.1961 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4094   -0.9798    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4746    0.8694    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8795    1.0542    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646    2.1774    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.1161   -0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4021    0.0317   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037   -1.2013    1.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5990   -2.0729   -0.1427 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