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
-2.8172 -0.5699 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.3033 -0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5903 0.7201 -1.5220 S 0 0 0 0 0 0 0 0 0 0 0 0
1.1377 0.7854 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5634 -0.0996 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7078 -0.0545 1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8557 -0.9798 0.9744 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.4147 -1.2021 -0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2865 -0.1746 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4133 1.8398 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 0.4965 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5969 0.2134 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6871 -1.1644 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4012 0.9920 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2856 -0.4989 2.0797 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