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
2.7052 0.4461 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5323 0.2015 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 -1.3386 0.7824 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0847 -1.0422 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2398 -0.5286 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0571 0.9682 -0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7079 1.3431 -0.7035 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2314 -0.2274 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2260 1.3800 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3375 -0.2489 1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6248 -1.9821 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2219 -0.8182 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4194 -0.9245 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 1.3853 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6389 1.3864 0.0278 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