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
2.9463 0.0884 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6492 0.0339 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6637 -1.3131 -0.6168 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 -1.2775 0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6743 -0.0462 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9645 1.2325 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6502 1.3472 0.7854 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5101 -0.7061 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4696 0.9324 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4904 -2.1521 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6265 -1.4973 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3714 -0.1789 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3875 -0.0071 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8867 1.4862 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6056 2.0578 0.4094 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