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
2.7523 -0.2574 0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5985 -0.1712 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5789 -1.5909 0.0951 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1146 -1.1780 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4909 0.2331 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7259 1.2686 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0019 1.3805 -0.3238 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3448 0.6340 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 -1.2083 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2815 -1.4221 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 -1.8421 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3413 0.3861 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5632 0.3617 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8687 1.1502 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1887 2.2557 -0.5300 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