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
2.8165 -0.0349 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5756 0.2621 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6471 1.6136 0.6018 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 1.2432 0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3722 -0.2116 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 -1.0849 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7349 -0.7195 -1.3416 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3309 -0.8666 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3260 0.5484 0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3457 1.5994 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7114 1.7957 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9717 -0.5305 1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4861 -0.3411 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6370 -1.1320 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8866 -2.1412 -0.3372 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