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
2.9221 0.2675 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6440 0.1220 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6000 1.4558 -0.2168 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1339 1.1825 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5338 -0.1771 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8433 -1.3119 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8892 -1.4933 0.3539 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5690 -0.5462 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3632 1.2550 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6913 1.5122 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4868 1.8997 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 -0.2987 0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4023 -0.3055 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3451 -2.2490 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9241 -1.3132 -1.2985 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