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
2.6794 0.1056 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5026 0.5047 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4171 1.4473 1.1102 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.2781 0.9122 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2618 -0.5042 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -0.6858 -1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8765 0.1283 -1.5277 S 0 0 0 0 0 0 0 0 0 0 0 0
3.1114 0.3174 1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3658 -0.4822 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7196 1.5836 -0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8675 0.9237 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 -1.1657 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3447 -0.8203 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4468 -0.4714 -2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 -1.7932 -1.3494 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