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
2.8410 0.1057 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6332 -0.0645 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 1.2329 0.7830 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 1.2359 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5334 -0.0582 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9097 -1.2747 0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 -1.6120 -0.2071 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3583 1.0514 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3631 -0.6835 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5516 1.6455 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 1.9971 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6220 -0.0954 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5104 -0.1858 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5367 -2.1513 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8596 -1.1432 1.5972 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