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
    2.8700   -0.0596   -0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6284   -0.1490   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6652   -1.6275   -0.3319 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9975   -1.2224    0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374    0.0427   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171    1.2940    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    1.2142    0.6115 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747   -0.9012   -1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    0.8448   -0.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751   -2.0544   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -1.1634    1.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6415    0.0512   -0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561   -0.0397   -1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615    2.0968   -0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5080    1.6735    1.0230 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