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
2.8223 -0.6635 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6319 -0.1269 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7972 -0.1390 -1.5133 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9855 0.1110 -1.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4398 -0.2502 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9732 0.7543 1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7786 0.6314 1.4401 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2884 -1.1044 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3445 -0.6622 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4927 -0.5604 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 1.1631 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5534 -0.2169 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1140 -1.2749 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2747 1.7682 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 0.5703 2.0332 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