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
2.9233 -0.1768 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 -0.1427 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5171 -0.6854 -1.4985 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1772 -0.7163 -0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4504 0.5918 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9061 0.4710 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8861 0.4590 1.3419 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5533 0.1560 0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4384 -0.5281 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9289 -0.7715 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3497 -1.5857 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5324 0.7475 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9412 1.3828 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3122 -0.4926 1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3318 1.2912 1.9168 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