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
2.8098 0.2091 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5518 0.0982 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5640 1.5320 -0.8005 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 1.0689 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2524 0.0754 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9435 -1.3232 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7560 -1.4931 -0.4519 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3533 1.1401 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3372 -0.6981 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 0.5569 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8093 1.9484 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3076 0.0663 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5696 0.3897 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6334 -1.5457 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 -2.0249 0.9742 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