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
2.8285 0.3681 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5508 0.2128 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8879 -1.4454 -0.3422 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8599 -1.3805 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 -0.1743 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1801 1.1070 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4835 1.6448 -0.2546 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4927 -0.4839 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2581 1.3575 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8968 -1.3547 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4182 -2.2897 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5760 -0.2771 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0332 -0.0611 -1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1049 0.9386 1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 1.8380 0.0162 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