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
2.8470 0.1574 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6451 0.0222 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8159 1.3079 -0.9951 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9118 1.2164 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5244 -0.1146 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 -1.2334 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7546 -1.4750 0.1091 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3700 -0.6224 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3818 1.0874 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 1.9832 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9127 1.4064 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4454 -0.4296 -1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6120 -0.0202 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3795 -1.1191 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4928 -2.1666 -0.2118 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