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
-2.6293 0.0714 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5769 -0.0449 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8633 -1.6121 0.0702 S 0 0 0 0 0 0 0 0 0 0 0 0
0.7852 -1.1780 0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4712 -0.1710 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9931 1.2236 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7743 1.3862 0.3143 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.1686 -0.7624 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 1.0560 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6365 -0.7311 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4134 -2.0568 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 -0.2275 0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -0.5100 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2226 1.7592 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5852 1.7974 0.8102 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