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
2.8857 0.4207 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5906 0.3482 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5339 1.1996 -1.1665 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1694 0.9788 -0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4350 -0.4728 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8733 -1.0402 0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -0.5851 1.2813 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3227 1.0029 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 -0.0685 0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3237 1.5220 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8415 1.3283 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0941 -1.0228 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 -0.6311 -0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9131 -2.1646 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5397 -0.8154 1.8066 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