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
    2.8285    0.3681    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    0.2128   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8879   -1.4454   -0.3422 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -1.3805    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769   -0.1743   -0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    1.1070    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4835    1.6448   -0.2546 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927   -0.4839    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581    1.3575    0.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968   -1.3547    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182   -2.2897   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5760   -0.2771   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0332   -0.0611   -1.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049    0.9386    1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556    1.8380    0.0162 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