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
    2.8450    0.1720   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138   -0.0722    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -1.6459   -0.0088 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9902   -1.3143    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3677   -0.0022   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    1.1892    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    1.1851    1.0557 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289    1.1208    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -0.6073   -0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3537   -1.3717    1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954   -2.1135   -0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845    0.0657   -1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -0.0133   -0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7909    1.3162    1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071    2.0915   -0.3289 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