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
2.8977 0.1753 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6106 0.0082 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9320 -1.1790 0.8204 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7518 -0.6416 1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5458 -0.4200 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2087 0.8676 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4791 0.9477 -1.3073 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5678 -0.3995 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2996 0.8965 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7704 0.2072 1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2312 -1.5107 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6156 -0.3694 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3494 -1.2769 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9106 0.9530 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4034 1.7415 -0.0839 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