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
2.4681 -0.5551 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4989 -0.0802 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2871 -0.6773 1.0412 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3907 -0.2487 1.5816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3655 -0.2160 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2397 0.9958 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3644 1.1828 -1.1873 S 0 0 0 0 0 0 0 0 0 0 0 0
3.1553 -1.3191 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5818 -0.1857 -2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4094 0.7260 2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7090 -1.0410 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3241 -1.1696 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3887 -0.1944 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5282 1.8795 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0003 0.9030 -1.2310 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