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
2.7039 -0.7327 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5633 -0.4609 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1168 1.2294 0.4364 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6282 1.4928 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4446 0.2596 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1743 -0.8601 0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3942 -1.7093 0.5965 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3843 0.0509 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 -1.7633 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7795 2.1507 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9997 2.0843 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.5513 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3668 -0.1185 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9763 -1.6163 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2275 -0.5577 2.0248 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