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
2.8568 -0.0383 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 -0.0849 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4978 0.5573 -1.5875 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 0.1909 -1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3195 0.6137 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9669 -0.6133 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8353 -0.8032 1.1981 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 -0.4186 0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3078 0.3884 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9558 0.7104 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3454 -0.9019 -1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6235 1.4524 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3440 0.9668 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4040 -1.5177 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 -0.5019 2.2569 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