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
2.9108 0.3427 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6059 0.3474 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6996 -0.4312 1.5446 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9946 -0.8177 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6160 0.2160 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9182 0.2178 -1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6339 1.1830 -1.0210 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3880 0.8337 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5294 -0.1535 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 -0.8621 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0848 -1.7952 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6574 -0.1172 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6238 1.2280 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5846 0.6551 -1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6912 -0.8468 -1.4104 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