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
2.8450 0.1720 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6138 -0.0722 0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7963 -1.6459 -0.0088 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9902 -1.3143 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3677 -0.0022 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0254 1.1892 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 1.1851 1.0557 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3289 1.1208 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4125 -0.6073 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3537 -1.3717 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4954 -2.1135 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9845 0.0657 -1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4871 -0.0133 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 1.3162 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 2.0915 -0.3289 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