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
2.7521 0.6058 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5173 0.2498 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3123 -0.0550 -1.4878 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3475 -0.2831 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4434 0.2491 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6229 -0.6033 1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 0.0802 1.4925 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5077 0.7979 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0702 0.7239 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1043 0.2371 -1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6408 -1.3455 -0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0532 1.2952 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 0.3156 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0042 -0.6224 2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5171 -1.6455 1.1227 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