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
2.8765 0.1498 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6462 -0.0872 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7566 1.0676 0.9326 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9370 1.1990 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5505 0.0135 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9546 -1.3149 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7066 -1.5439 -0.5418 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3564 1.0579 -0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4177 -0.5719 -1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0236 2.0999 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5372 1.4932 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6469 -0.0596 0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5197 0.1088 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5890 -2.0942 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0015 -1.5180 1.2291 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