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
2.9455 -0.0599 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6280 0.0443 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6335 -1.3008 0.9297 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 -1.2212 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6151 0.1420 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9348 1.1268 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7433 1.5182 -0.1808 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4537 -0.9669 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5752 0.7336 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 -1.9036 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9490 -1.6107 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6596 0.0307 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6770 0.5531 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9350 0.8375 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 2.0771 -0.6144 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