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
2.8396 -0.3740 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5481 -0.2646 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4971 -1.6180 -0.0723 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1299 -1.0349 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 0.1537 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7650 1.3857 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8173 1.2567 0.8595 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5149 0.4451 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2762 -1.3194 -0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1720 -0.7683 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8544 -1.8502 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4696 -0.1432 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6393 0.3304 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3290 2.2718 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5472 1.5294 -1.0800 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