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
2.8259 -0.5326 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5544 -0.3023 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2774 -1.5081 -0.8082 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3193 -0.6132 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3825 -0.0808 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 1.2574 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 1.2092 0.3312 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5643 0.1982 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1292 -1.4552 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3600 0.2367 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1077 -1.3494 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4607 0.1200 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0048 -0.7764 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2424 1.9238 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8054 1.6726 1.7865 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