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
2.5913 -0.8229 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 -0.5823 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1279 -1.6981 -0.2871 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3968 -0.7523 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3805 0.3560 0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3975 1.4434 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3179 0.8907 0.7208 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4674 -0.1605 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6921 -1.7301 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 -1.4253 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5647 -0.3168 -1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2381 -0.0239 1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3953 0.8209 0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5812 2.2824 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 1.7189 -0.6190 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