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
2.8009 -0.6899 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5402 -0.4074 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5063 -1.3218 -0.8124 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.2114 -0.8368 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5714 0.2683 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6182 1.4173 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7994 0.8971 1.2115 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2561 -1.5092 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4394 -0.1266 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8249 -1.7255 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4946 -0.5508 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6884 -0.1070 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5632 0.6804 -0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2792 1.7570 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0909 2.2549 0.6979 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