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
2.9548 0.1791 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6437 0.1152 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7842 -1.3569 -0.7388 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 -1.3023 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6643 -0.1103 -0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0020 1.1650 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5682 1.4688 0.2567 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6359 -0.5918 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3854 1.1313 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7664 -1.4352 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3943 -2.2319 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3730 0.0694 0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3628 -0.3542 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6778 2.0116 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8788 1.2421 -1.7009 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