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
2.8777 0.2568 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5860 0.1220 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5553 1.5463 -0.5221 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 1.1655 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5786 -0.0567 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9694 -1.3170 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7861 -1.4622 -0.1960 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4131 1.1942 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4982 -0.6342 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7381 0.8775 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 2.0206 0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3526 -0.0286 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6833 -0.1470 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1533 -1.3686 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4980 -2.1686 -0.2950 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