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
2.9139 -0.0556 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6402 -0.0052 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7968 1.4938 -0.2652 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9148 1.2656 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5475 0.0338 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0760 -1.2247 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6899 -1.5024 0.1961 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4094 -0.9798 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4746 0.8694 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8795 1.0542 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4646 2.1774 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6375 0.1161 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4021 0.0317 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4037 -1.2013 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5990 -2.0729 -0.1427 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