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
2.8639 -0.0231 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5425 -0.0102 0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5865 -1.5224 0.7844 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9368 -1.2501 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6183 0.0301 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8979 1.2577 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 1.5356 0.7679 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3670 -0.9636 0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3765 0.9311 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7728 -1.3358 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6334 -2.0833 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6585 0.0450 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6569 0.0556 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 1.2062 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5675 2.1273 -0.0614 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