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
2.8695 0.1284 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6424 0.1076 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -1.3694 0.7616 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9735 -1.2926 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5567 0.0766 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9805 1.0950 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6883 1.5919 0.4133 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4449 -0.7859 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3787 1.0392 -0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 -1.9921 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2378 -1.6532 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6531 0.0736 0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 0.3928 1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9353 0.6179 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6456 1.9702 -0.2545 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