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
    2.9157   -0.2642   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278   -0.1043   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273    1.1452    0.5353 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308    1.3384   -0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486    0.1237   -0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779   -1.1863   -0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288   -1.1814   -1.3454 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5204   -1.0142   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896    0.4475    0.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    1.7410   -1.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600    2.1396   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030    0.1007    0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2903    0.2925   -1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0816   -1.7433    0.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550   -1.8347   -1.4994 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