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
2.8478 -0.5860 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5651 -0.4045 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9457 1.0845 0.7114 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7558 1.4419 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4584 0.3092 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2270 -1.0256 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3477 -1.6554 -0.4932 S 0 0 0 0 0 0 0 0 0 0 0 0
3.1827 -1.5167 -0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5498 0.1810 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3709 1.8091 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7223 2.2933 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 0.5212 -0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2584 0.2410 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0455 -0.9599 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0355 -1.7330 -0.0535 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