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
2.7872 -0.5202 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -0.4216 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6182 -1.4482 0.5742 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9177 -0.7335 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6237 0.1198 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8197 1.2822 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 0.7543 -1.4931 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3490 -1.2482 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 0.1022 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6118 -1.5567 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7601 -0.1102 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0156 -0.4871 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5264 0.5318 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4887 1.9737 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3180 1.7616 0.5000 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