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
2.8351 0.0100 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5303 -0.0399 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6076 1.4382 -0.7132 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9972 1.2606 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5744 -0.0696 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9777 -1.1664 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6720 -1.5698 -0.1323 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3939 -0.8881 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3759 0.9303 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6629 2.1004 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7177 1.1677 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6930 -0.0387 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2874 -0.2816 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6452 -2.0668 0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8594 -0.7863 1.5963 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