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
    2.7323   -0.8406    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -0.6409   -0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9499    0.6722   -1.2103 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777    1.4122   -0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095    0.5659    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933   -0.8779    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743   -1.7004    0.5190 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656   -1.6574    0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557   -0.2368   -0.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888    2.3652   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2409    1.7697   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    0.9564    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8315    0.6464    1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925   -1.3326    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6613   -1.1014   -1.0014 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