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
2.7647 -0.0985 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5454 0.2594 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7320 1.5689 0.6536 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0536 1.2452 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 -0.2404 0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9847 -1.0055 -0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.5216 -1.4987 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3114 0.4055 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2964 -0.8924 -0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6697 1.7712 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 1.5594 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8449 -0.6636 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4254 -0.3391 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8614 -2.0873 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8083 -0.9611 -1.5172 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