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
2.8862 0.0360 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6034 -0.1233 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6947 -1.4507 -0.6623 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9943 -1.2804 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5630 0.0196 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 1.2289 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 0.9162 1.1591 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4948 -0.6167 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3681 0.8468 0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 -1.2579 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6512 -2.0930 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6735 0.0458 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4857 0.0345 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 1.7474 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6904 1.9468 -0.6129 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