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
1.3315 -1.8240 -1.6804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8496 -1.2677 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7800 -1.6075 0.0445 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.5351 -0.0350 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6993 1.1549 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6318 1.2177 0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7703 -0.0849 0.3710 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3062 -1.6451 -2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7018 -2.5353 -2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 0.0519 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8090 -0.0327 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5483 1.1431 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2712 2.0604 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4537 1.1938 1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 2.2103 0.6292 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