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
2.8427 -0.0542 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5598 -0.0026 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4912 0.6621 1.5190 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1168 0.9665 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5073 -0.3653 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 -0.5545 -1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8884 -0.5928 -1.2708 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5278 -0.4493 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2552 0.3030 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9270 1.7251 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8163 1.2977 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 -0.4143 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1011 -1.2008 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3110 0.2133 -1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2741 -1.5339 -1.6739 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