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
2.9117 0.0294 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6487 -0.0455 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -1.5781 -0.1967 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9437 -1.2281 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5852 -0.0889 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9494 1.2452 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 1.3625 -0.8416 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4798 -0.8175 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 0.9764 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0170 -1.0309 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5645 -2.1265 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6221 -0.0030 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6903 -0.2540 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5589 1.9874 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0189 1.5717 0.8462 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