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
2.8724 0.1535 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6261 0.1552 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6684 1.6831 0.0861 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9876 1.1153 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5197 0.0401 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9667 -1.3157 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7958 -1.3470 0.3623 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4044 -0.7763 -0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3621 1.0762 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8847 0.6906 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6700 1.9678 0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4448 0.3379 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6251 -0.0114 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4875 -1.8099 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -1.9596 -0.8787 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