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
2.9241 0.2611 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6287 0.1586 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5165 1.5423 -0.3469 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0585 1.0445 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 -0.1307 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8028 -1.2056 -0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7441 -1.3838 0.2340 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5258 -0.6127 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4064 1.2011 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8377 0.8368 1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7484 1.9046 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3775 -0.5981 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3549 0.2318 -1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3628 -2.1823 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5102 -1.0673 -1.7717 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